N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethyl]propane-2-sulfonamide

Systemtic Name: N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethyl]propane-2-sulfonamide Openeye Name: N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(p-tolyl)ethyl]propane-2-sulfonamide CAS Name: N-[2-[3-(2-hydroxyphenyl)-1-piperazinyl]-2-(4-methylphenyl)ethyl]-2-propanesulfonamide IUPAC Name: N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-[3-(2-hydroxyphenyl)piperazino]-2-(p-tolyl)ethyl]propane-2-sulfonamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C22H31N3O3S/c1-16(2)29(27,28)24-14-21(18-10-8-17(3)9-11-18)25-13-12-23-20(15-25)19-6-4-5-7-22(19)26/h4-11,16,20-21,23-24,26H,12-15H2,1-3H3