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

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(5-bromo-2-thienyl)propan-1-one dihydrochloride CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]-1-(5-bromo-2-thiophenyl)-1-propanone dihydrochloride IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(5-bromothiophen-2-yl)propan-1-one dihydrochloride Traditional Name: 3-(4-besylpiperazino)-1-(5-bromo-2-thienyl)propan-1-one dihydrochloride Formula: C17H21BrCl2N2O3S2 MolecularWeight: 516.30024

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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.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O3S2.2ClH/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;2*1H