2-(3-methylsulfanylpiperazin-1-yl)-N-(phenylmethyl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine

Systemtic Name: 2-(3-methylsulfanylpiperazin-1-yl)-N-(phenylmethyl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine Openeye Name: N-benzyl-2-(4-isopropylsulfonylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethanamine CAS Name: 2-[3-(methylthio)-1-piperazinyl]-N-(phenylmethyl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine IUPAC Name: N-benzyl-2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine Traditional Name: benzyl-[2-(4-isopropylsulfonylphenyl)-2-[3-(methylthio)piperazino]ethyl]amine Formula: C23H33N3O2S2 MolecularWeight: 447.65702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C23H33N3O2S2/c1-18(2)30(27,28)21-11-9-20(10-12-21)22(26-14-13-25-23(17-26)29-3)16-24-15-19-7-5-4-6-8-19/h4-12,18,22-25H,13-17H2,1-3H3