[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-[3-[(methylthio)methyl]phenyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-[3-[(methylthio)methyl]phenyl]methanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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