N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-[4-(3-chlorophenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]-4-methyl-benzenesulfonamide Formula: C22H28ClN3O3S2 MolecularWeight: 482.05902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O3S2/c1-17-6-8-20(9-7-17)31(28,29)24-21(10-15-30-2)22(27)26-13-11-25(12-14-26)19-5-3-4-18(23)16-19/h3-9,16,21,24H,10-15H2,1-2H3