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

Systemtic Name: 3-(azepan-1-yl)-N-(3-chlorophenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(3-chlorophenyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(3-chlorophenyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(3-chlorophenyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(3-chlorophenyl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H21ClN2O4S/c23-15-8-7-9-16(14-15)24-30(28,29)22-19(25-12-5-1-2-6-13-25)20(26)17-10-3-4-11-18(17)21(22)27/h3-4,7-11,14,24H,1-2,5-6,12-13H2