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

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-nitro-3-piperidin-1-yl-phenyl)piperazine Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[4-nitro-3-(1-piperidyl)phenyl]piperazine CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[4-nitro-3-(1-piperidinyl)phenyl]piperazine IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(4-nitro-3-piperidino-phenyl)piperazine Formula: C23H30N4O4S MolecularWeight: 458.5737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4S/c1-18-6-8-21(16-19(18)2)32(30,31)26-14-12-24(13-15-26)20-7-9-22(27(28)29)23(17-20)25-10-4-3-5-11-25/h6-9,16-17H,3-5,10-15H2,1-2H3