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

Systemtic Name: 3-(4-bromophenyl)sulfonyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(4-bromophenyl)sulfonyl-propan-1-one CAS Name: 3-(4-bromophenyl)sulfonyl-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(4-bromophenyl)sulfonylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-brosyl-propan-1-one Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O3S/c21-18-6-8-19(9-7-18)27(25,26)15-10-20(24)23-13-11-22(12-14-23)16-17-4-2-1-3-5-17/h1-9H,10-16H2