N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)isoquinoline-5-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-methoxyphenyl)isoquinoline-5-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-methoxyphenyl)-5-isoquinolinesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)isoquinoline-5-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-methoxyphenyl)isoquinoline-5-sulfonamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H27N3O4S/c1-31-21-11-9-20(10-12-21)27(18-24(28)26-15-4-2-3-5-16-26)32(29,30)23-8-6-7-19-17-25-14-13-22(19)23/h6-14,17H,2-5,15-16,18H2,1H3