2-[4-(2-methylpropyl)phenyl]-N-methylsulfanyl-2-[3-(phenylsulfonyl)piperazin-1-yl]ethanamine

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]-N-methylsulfanyl-2-[3-(phenylsulfonyl)piperazin-1-yl]ethanamine Openeye Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-2-(4-isobutylphenyl)-N-methylsulfanyl-ethanamine CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-2-[4-(2-methylpropyl)phenyl]ethyl]methanesulfenamide IUPAC Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]-N-methylsulfanylethanamine Traditional Name: [2-(3-besylpiperazino)-2-(4-isobutylphenyl)ethyl]-(methylthio)amine Formula: C23H33N3O2S2 MolecularWeight: 447.65702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

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