3-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(1,3-benzodioxol-5-yl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C23H22N2O6S MolecularWeight: 454.49558

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O6S/c26-21-16-7-3-4-8-17(16)22(27)23(20(21)25-11-5-1-2-6-12-25)32(28,29)24-15-9-10-18-19(13-15)31-14-30-18/h3-4,7-10,13,24H,1-2,5-6,11-12,14H2