4-[(3-cyanophenyl)methyl-methyl-amino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(3-cyanophenyl)methyl-methyl-amino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[(3-cyanophenyl)methyl-methyl-amino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(3-cyanophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[(3-cyanophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(3-cyanobenzyl)-methyl-amino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=CC(=C3)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=CC(=C3)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C23H22N4O4S/c1-16-7-9-21(17(2)11-16)25-32(30,31)20-8-10-22(23(13-20)27(28)29)26(3)15-19-6-4-5-18(12-19)14-24/h4-13,25H,15H2,1-3H3