3-(azepan-1-yl)-N-(3-chloranyl-4-methyl-phenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-N-(3-chloranyl-4-methyl-phenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(3-chloro-4-methyl-phenyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(3-chloro-4-methylphenyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(3-chloro-4-methyl-phenyl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C23H23ClN2O4S MolecularWeight: 458.95772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O4S/c1-15-10-11-16(14-19(15)24)25-31(29,30)23-20(26-12-6-2-3-7-13-26)21(27)17-8-4-5-9-18(17)22(23)28/h4-5,8-11,14,25H,2-3,6-7,12-13H2,1H3