3-(4-bromophenyl)sulfonyl-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

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