1-(2-methylphenyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine

Systemtic Name: 1-(2-methylphenyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-(o-tolyl)piperazine CAS Name: 1-(2-methylphenyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine IUPAC Name: 1-(2-methylphenyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-(o-tolyl)piperazine Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-14-5-3-4-6-16(14)19-9-11-20(12-10-19)17-8-7-15(26(2,24)25)13-18(17)21(22)23/h3-8,13H,9-12H2,1-2H3