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

Systemtic Name: 3-(azepan-1-yl)-1,4-bis(oxidanylidene)-N-(phenylmethyl)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-benzyl-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-1,4-dioxo-N-(phenylmethyl)-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-benzyl-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-benzyl-1,4-diketo-naphthalene-2-sulfonamide Formula: C23H24N2O4S MolecularWeight: 424.51266

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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=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4S/c26-21-18-12-6-7-13-19(18)22(27)23(20(21)25-14-8-1-2-9-15-25)30(28,29)24-16-17-10-4-3-5-11-17/h3-7,10-13,24H,1-2,8-9,14-16H2