N-[3-(3-azanylpropyl)-1-butyl-2-oxidanylidene-azepan-3-yl]-6,7-dimethoxy-naphthalene-2-sulfonamide

Systemtic Name: N-[3-(3-azanylpropyl)-1-butyl-2-oxidanylidene-azepan-3-yl]-6,7-dimethoxy-naphthalene-2-sulfonamide Openeye Name: N-[3-(3-aminopropyl)-1-butyl-2-oxo-azepan-3-yl]-6,7-dimethoxy-naphthalene-2-sulfonamide CAS Name: N-[3-(3-aminopropyl)-1-butyl-2-oxo-3-azepanyl]-6,7-dimethoxy-2-naphthalenesulfonamide IUPAC Name: N-[3-(3-aminopropyl)-1-butyl-2-oxoazepan-3-yl]-6,7-dimethoxynaphthalene-2-sulfonamide Traditional Name: N-[3-(3-aminopropyl)-1-butyl-2-keto-azepan-3-yl]-6,7-dimethoxy-naphthalene-2-sulfonamide Formula: C25H37N3O5S MolecularWeight: 491.64338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCCC(C1=O)(CCCN)NS(=O)(=O)C2=CC3=CC(=C(C=C3C=C2)OC)OC

Isomeric SMILES

CCCCN1CCCCC(C1=O)(CCCN)NS(=O)(=O)C2=CC3=CC(=C(C=C3C=C2)OC)OC

InChI

InChI=1S/C25H37N3O5S/c1-4-5-14-28-15-7-6-11-25(24(28)29,12-8-13-26)27-34(30,31)21-10-9-19-17-22(32-2)23(33-3)18-20(19)16-21/h9-10,16-18,27H,4-8,11-15,26H2,1-3H3