1-[4-methylsulfanyl-2-(phenylmethyl)phenyl]-3-propan-2-ylsulfonyl-piperazine

Systemtic Name: 1-[4-methylsulfanyl-2-(phenylmethyl)phenyl]-3-propan-2-ylsulfonyl-piperazine Openeye Name: 1-(2-benzyl-4-methylsulfanyl-phenyl)-3-isopropylsulfonyl-piperazine CAS Name: 1-[4-(methylthio)-2-(phenylmethyl)phenyl]-3-propan-2-ylsulfonylpiperazine IUPAC Name: 1-(2-benzyl-4-methylsulfanylphenyl)-3-propan-2-ylsulfonylpiperazine Traditional Name: 1-[2-benzyl-4-(methylthio)phenyl]-3-isopropylsulfonyl-piperazine Formula: C21H28N2O2S2 MolecularWeight: 404.58922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)SC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)SC)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2S2/c1-16(2)27(24,25)21-15-23(12-11-22-21)20-10-9-19(26-3)14-18(20)13-17-7-5-4-6-8-17/h4-10,14,16,21-22H,11-13,15H2,1-3H3