3-(azepan-1-yl)-N-(2,5-dimethylphenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-N-(2,5-dimethylphenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(2,5-dimethylphenyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(2,5-dimethylphenyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(2,5-dimethylphenyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(2,5-dimethylphenyl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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