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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1)SC)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1)SC)N2CCNC(C2)CC3=CC=CC=C3

InChI

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