1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-3-(phenylthio)propan-1-one Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCSC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O3S2/c1-17-8-9-20(18(2)16-17)28(25,26)23-13-11-22(12-14-23)21(24)10-15-27-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3