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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C23H23ClN2O4S/c24-19-12-6-3-9-16(19)15-25-31(29,30)23-20(26-13-7-1-2-8-14-26)21(27)17-10-4-5-11-18(17)22(23)28/h3-6,9-12,25H,1-2,7-8,13-15H2