1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(2-ethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(2-ethoxyphenyl)propan-1-one Openeye Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(2-ethoxyphenyl)propan-1-one CAS Name: 1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-(2-ethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(2-ethoxyphenyl)propan-1-one Traditional Name: 1-(4-brosylpiperazino)-3-o-phenetyl-propan-1-one Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-2-28-20-6-4-3-5-17(20)7-12-21(25)23-13-15-24(16-14-23)29(26,27)19-10-8-18(22)9-11-19/h3-6,8-11H,2,7,12-16H2,1H3