N-[2-(3-methylsulfanylpiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethyl]propane-2-sulfonamide

Systemtic Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethyl]propane-2-sulfonamide Openeye Name: N-[2-(4-benzylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-2-[4-(phenylmethyl)phenyl]ethyl]-2-propanesulfonamide IUPAC Name: N-[2-(4-benzylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-(4-benzylphenyl)-2-[3-(methylthio)piperazino]ethyl]propane-2-sulfonamide Formula: C23H33N3O2S2 MolecularWeight: 447.65702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC(C1=CC=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CC(C)S(=O)(=O)NCC(C1=CC=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

InChI

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