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

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C22H26N4O5S MolecularWeight: 458.53064

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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)NC4CC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N4O5S/c1-15-3-8-21(16(2)13-15)32(30,31)25-11-9-24(10-12-25)22(27)17-4-7-19(23-18-5-6-18)20(14-17)26(28)29/h3-4,7-8,13-14,18,23H,5-6,9-12H2,1-2H3