1-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4-(4-nitrophenyl)piperazine

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4-(4-nitrophenyl)piperazine Openeye Name: 1-[1-methyl-2-(p-tolylsulfonyl)ethyl]-4-(4-nitrophenyl)piperazine CAS Name: 1-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4-(4-nitrophenyl)piperazine IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4-(4-nitrophenyl)piperazine Traditional Name: 1-(1-methyl-2-tosyl-ethyl)-4-(4-nitrophenyl)piperazine Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-16-3-9-20(10-4-16)28(26,27)15-17(2)21-11-13-22(14-12-21)18-5-7-19(8-6-18)23(24)25/h3-10,17H,11-15H2,1-2H3