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

Systemtic Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone CAS Name: [4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-[4-(methylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[4-(methylamino)-3-nitrophenyl]methanone Traditional Name: [4-(2,4-dimethylphenyl)sulfonylpiperazino]-[4-(methylamino)-3-nitro-phenyl]methanone Formula: C20H24N4O5S MolecularWeight: 432.49336

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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)NC)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c1-14-4-7-19(15(2)12-14)30(28,29)23-10-8-22(9-11-23)20(25)16-5-6-17(21-3)18(13-16)24(26)27/h4-7,12-13,21H,8-11H2,1-3H3