1-[6-(2-methylpropylsulfanyl)pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-[6-(2-methylpropylsulfanyl)pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[(6-isobutylsulfanyl-3-pyridyl)sulfonyl]piperazine CAS Name: 1-[[6-(2-methylpropylthio)-3-pyridinyl]sulfonyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[6-(2-methylpropylsulfanyl)pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-benzyl-4-[[6-(isobutylthio)-3-pyridyl]sulfonyl]piperazine Formula: C20H27N3O2S2 MolecularWeight: 405.57728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2S2/c1-17(2)16-26-20-9-8-19(14-21-20)27(24,25)23-12-10-22(11-13-23)15-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15-16H2,1-2H3