N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]-N-methyl-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]-N-methyl-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-N-methyl-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]-N-methyl-4-(methylthio)benzenesulfonamide IUPAC Name: N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-N-methyl-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-N-methyl-4-(methylthio)benzenesulfonamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C27H31N3O3S2/c1-20-6-5-7-26(21(20)2)29-16-18-30(19-17-29)27(31)22-8-10-23(11-9-22)28(3)35(32,33)25-14-12-24(34-4)13-15-25/h5-15H,16-19H2,1-4H3