1-(5-bromanylthiophen-2-yl)-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(5-bromo-2-thienyl)propan-1-one CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]-1-(5-bromo-2-thiophenyl)-1-propanone IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(5-bromothiophen-2-yl)propan-1-one Traditional Name: 3-(4-besylpiperazino)-1-(5-bromo-2-thienyl)propan-1-one Formula: C17H19BrN2O3S2 MolecularWeight: 443.37836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19BrN2O3S2/c18-17-7-6-16(24-17)15(21)8-9-19-10-12-20(13-11-19)25(22,23)14-4-2-1-3-5-14/h1-7H,8-13H2