1-(4-nitrophenyl)-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(4-nitrophenyl)-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-nitrophenyl)propan-1-one dihydrochloride CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]-1-(4-nitrophenyl)-1-propanone dihydrochloride IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-nitrophenyl)propan-1-one dihydrochloride Traditional Name: 3-(4-besylpiperazino)-1-(4-nitrophenyl)propan-1-one dihydrochloride Formula: C19H23Cl2N3O5S MolecularWeight: 476.37402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S.2ClH/c23-19(16-6-8-17(9-7-16)22(24)25)10-11-20-12-14-21(15-13-20)28(26,27)18-4-2-1-3-5-18;;/h1-9H,10-15H2;2*1H