[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

Systemtic Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone Openeye Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone CAS Name: [4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-[4-[(methylthio)methyl]phenyl]methanone IUPAC Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone Traditional Name: [4-(3,4-dimethylphenyl)sulfonylpiperazino]-[4-[(methylthio)methyl]phenyl]methanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC)C

InChI

InChI=1S/C21H26N2O3S2/c1-16-4-9-20(14-17(16)2)28(25,26)23-12-10-22(11-13-23)21(24)19-7-5-18(6-8-19)15-27-3/h4-9,14H,10-13,15H2,1-3H3