3-(3,4-dimethylphenyl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4-dimethylphenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-[(3,4-dimethylphenyl)thio]-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4-dimethylphenyl)sulfanylpropan-1-one Traditional Name: 1-(4-besylpiperazino)-3-[(3,4-dimethylphenyl)thio]propan-1-one Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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