3-(4-bromophenyl)sulfonyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-bromophenyl)sulfonyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-bromophenyl)sulfonyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromophenyl)sulfonyl-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-bromophenyl)sulfonyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-brosyl-1-[4-(2,3-dimethylphenyl)piperazino]propan-1-one Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H25BrN2O3S/c1-16-4-3-5-20(17(16)2)23-11-13-24(14-12-23)21(25)10-15-28(26,27)19-8-6-18(22)7-9-19/h3-9H,10-15H2,1-2H3