1-[3-methyl-4-(3-methylphenyl)sulfonyl-butyl]-4-phenyl-piperazine

Systemtic Name: 1-[3-methyl-4-(3-methylphenyl)sulfonyl-butyl]-4-phenyl-piperazine Openeye Name: 1-[3-methyl-4-(m-tolylsulfonyl)butyl]-4-phenyl-piperazine CAS Name: 1-[3-methyl-4-(3-methylphenyl)sulfonylbutyl]-4-phenylpiperazine IUPAC Name: 1-[3-methyl-4-(3-methylphenyl)sulfonylbutyl]-4-phenylpiperazine Traditional Name: 1-[3-methyl-4-(m-tolylsulfonyl)butyl]-4-phenyl-piperazine Formula: C22H30N2O2S MolecularWeight: 386.5508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)CC(C)CCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)CC(C)CCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2S/c1-19-7-6-10-22(17-19)27(25,26)18-20(2)11-12-23-13-15-24(16-14-23)21-8-4-3-5-9-21/h3-10,17,20H,11-16,18H2,1-2H3