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

Systemtic Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-phenylphenyl)ethyl]propane-2-sulfonamide Openeye Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-phenylphenyl)ethyl]propane-2-sulfonamide CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-2-(4-phenylphenyl)ethyl]-2-propanesulfonamide IUPAC Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-phenylphenyl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-[3-(methylthio)piperazino]-2-(4-phenylphenyl)ethyl]propane-2-sulfonamide Formula: C22H31N3O2S2 MolecularWeight: 433.63044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2S2/c1-17(2)29(26,27)24-15-21(25-14-13-23-22(16-25)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