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

Systemtic Name: 3-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-1,4-diketo-N-piperonyl-naphthalene-2-sulfonamide Formula: C24H24N2O6S MolecularWeight: 468.52216

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N2O6S/c27-22-17-7-3-4-8-18(17)23(28)24(21(22)26-11-5-1-2-6-12-26)33(29,30)25-14-16-9-10-19-20(13-16)32-15-31-19/h3-4,7-10,13,25H,1-2,5-6,11-12,14-15H2