1-(4-methylphenyl)sulfonyl-4-(4-nitro-3-piperidin-1-yl-phenyl)piperazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitro-3-piperidin-1-yl-phenyl)piperazine Openeye Name: 1-[4-nitro-3-(1-piperidyl)phenyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[4-nitro-3-(1-piperidinyl)phenyl]piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine Traditional Name: 1-(4-nitro-3-piperidino-phenyl)-4-tosyl-piperazine Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C22H28N4O4S/c1-18-5-8-20(9-6-18)31(29,30)25-15-13-23(14-16-25)19-7-10-21(26(27)28)22(17-19)24-11-3-2-4-12-24/h5-10,17H,2-4,11-16H2,1H3