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

Systemtic Name: 3-(azepan-1-yl)-N-(2,3-dimethylphenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(2,3-dimethylphenyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(2,3-dimethylphenyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(2,3-dimethylphenyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(2,3-dimethylphenyl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4)C

InChI

InChI=1S/C24H26N2O4S/c1-16-10-9-13-20(17(16)2)25-31(29,30)24-21(26-14-7-3-4-8-15-26)22(27)18-11-5-6-12-19(18)23(24)28/h5-6,9-13,25H,3-4,7-8,14-15H2,1-2H3