3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-N-[2-(methylthio)phenyl]propionamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3SC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3SC)C

InChI

InChI=1S/C22H29N3O3S2/c1-17-8-9-21(18(2)16-17)30(27,28)25-14-12-24(13-15-25)11-10-22(26)23-19-6-4-5-7-20(19)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)