N-methylsulfanyl-2-(4-phenylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine

Systemtic Name: N-methylsulfanyl-2-(4-phenylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Openeye Name: 2-(3-isopropylsulfonylpiperazin-1-yl)-N-methylsulfanyl-2-(4-phenylphenyl)ethanamine CAS Name: N-[2-(4-phenylphenyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]methanesulfenamide IUPAC Name: N-methylsulfanyl-2-(4-phenylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Traditional Name: [2-(3-isopropylsulfonylpiperazino)-2-(4-phenylphenyl)ethyl]-(methylthio)amine Formula: C22H31N3O2S2 MolecularWeight: 433.63044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C(CNSC)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C(CNSC)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H31N3O2S2/c1-17(2)29(26,27)22-16-25(14-13-23-22)21(15-24-28-3)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,17,21-24H,13-16H2,1-3H3