N-(2,4-dimethylphenyl)-4-(2-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-(2-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-4-(2-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(2,4-dimethylphenyl)-4-(2-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(2-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-4-(2-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C19H22N4O5S/c1-14-7-8-16(15(2)13-14)20-19(24)21-9-11-22(12-10-21)29(27,28)18-6-4-3-5-17(18)23(25)26/h3-8,13H,9-12H2,1-2H3,(H,20,24)