(4-azanyl-3-nitro-phenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-amino-3-nitrophenyl)-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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