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

Systemtic Name: N-[1-[4-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-[4-(2-chlorophenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-[4-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-[4-(2-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=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl

InChI

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