1-(5-chloranyl-4-nitro-thiophen-2-yl)-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one hydrochloride

Systemtic Name: 1-(5-chloranyl-4-nitro-thiophen-2-yl)-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one hydrochloride Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(5-chloro-4-nitro-2-thienyl)propan-1-one hydrochloride CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]-1-(5-chloro-4-nitro-2-thiophenyl)-1-propanone hydrochloride IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(5-chloro-4-nitrothiophen-2-yl)propan-1-one hydrochloride Traditional Name: 3-(4-besylpiperazino)-1-(5-chloro-4-nitro-2-thienyl)propan-1-one hydrochloride Formula: C17H19Cl2N3O5S2 MolecularWeight: 480.38586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C17H18ClN3O5S2.ClH/c18-17-14(21(23)24)12-16(27-17)15(22)6-7-19-8-10-20(11-9-19)28(25,26)13-4-2-1-3-5-13;/h1-5,12H,6-11H2;1H