3-(3-bromophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-bromophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-bromophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-bromophenyl)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-bromophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-bromophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]propan-1-one Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=CC=C3)Br

InChI

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