4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-[homoveratryl(methyl)amino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzenesulfonamide Formula: C28H31N5O7S MolecularWeight: 581.64004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)N(C)CCC4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)N(C)CCC4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C28H31N5O7S/c1-19-27(28(34)32(31(19)3)21-9-7-6-8-10-21)29-41(37,38)22-12-13-23(24(18-22)33(35)36)30(2)16-15-20-11-14-25(39-4)26(17-20)40-5/h6-14,17-18,29H,15-16H2,1-5H3