CAS 127243-85-0 N-[2-(p-Bromocinnamylamino)ethyl]-5-Isoquinoline Sulfonamide, 98%

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N-[2-(p-Bromocinnamylamino)ethyl]-5-Isoquinoline Sulfonamide, 98%

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Catalog Number

ACM127243850

CAS Number

127243-85-0

Product Name

N-[2-(p-Bromocinnamylamino)ethyl]-5-Isoquinoline Sulfonamide, 98%

Structure

Category

Other Glass and Ceramic Materials

IUPAC Name

N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide

Molecular Weight

446.4g/mol

Molecular Formula

C20H20BrN3O2S

Canonical SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC=CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+

InChI Key

ZKZXNDJNWUTGDK-NSCUHMNNSA-N

Complexity

570

Covalently-Bonded Unit Count

Exact Mass

445.04596g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

H 87;H 89;H-87;H-89;h89;N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide

Monoisotopic Mass

445.04596g/mol

Rotatable Bond Count

UNII

M876330O56

XLogP3

3.5

MSDS

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COA

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Spec Sheet

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