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

Systemtic Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one CAS Name: 1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-(3,5-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one Traditional Name: 1-(4-brosylpiperazino)-3-(3,5-dimethoxyphenyl)propan-1-one Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H25BrN2O5S/c1-28-18-13-16(14-19(15-18)29-2)3-8-21(25)23-9-11-24(12-10-23)30(26,27)20-6-4-17(22)5-7-20/h4-7,13-15H,3,8-12H2,1-2H3