N-(1,3-benzodioxol-5-ylmethyl)-N-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-2-nitro-N-piperonyl-benzenesulfonamide Formula: C25H21N3O7S MolecularWeight: 507.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O7S/c1-16-5-4-6-18-12-19(25(29)26-24(16)18)14-27(13-17-9-10-21-22(11-17)35-15-34-21)36(32,33)23-8-3-2-7-20(23)28(30)31/h2-12H,13-15H2,1H3,(H,26,29)