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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4S/c1-25(17-18-11-5-4-6-12-18)31(29,30)24-21(26-15-9-2-3-10-16-26)22(27)19-13-7-8-14-20(19)23(24)28/h4-8,11-14H,2-3,9-10,15-17H2,1H3