3-(azepan-1-yl)-N-(2-methylphenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-N-(2-methylphenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(o-tolyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(2-methylphenyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(2-methylphenyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-1,4-diketo-N-(o-tolyl)naphthalene-2-sulfonamide Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C23H24N2O4S/c1-16-10-4-7-13-19(16)24-30(28,29)23-20(25-14-8-2-3-9-15-25)21(26)17-11-5-6-12-18(17)22(23)27/h4-7,10-13,24H,2-3,8-9,14-15H2,1H3