N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(2-methoxyethyl)-5-isoquinolinesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

COCCN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H27N3O4S/c1-27-14-13-23(16-20(24)22-11-4-2-3-5-12-22)28(25,26)19-8-6-7-17-15-21-10-9-18(17)19/h6-10,15H,2-5,11-14,16H2,1H3