4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[(1,1-dioxo-3-thiolanyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[(1,1-diketothiolan-3-yl)amino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC3CCS(=O)(=O)C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC3CCS(=O)(=O)C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O6S2/c1-12-3-5-16(13(2)9-12)20-29(26,27)15-4-6-17(18(10-15)21(22)23)19-14-7-8-28(24,25)11-14/h3-6,9-10,14,19-20H,7-8,11H2,1-2H3