3-(4-phenylphenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride

Systemtic Name: 3-(4-phenylphenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Openeye Name: 3-(4-phenylphenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride CAS Name: 3-(4-phenylphenyl)sulfonyl-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone hydrochloride IUPAC Name: 3-(4-phenylphenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Traditional Name: 3-(4-phenylphenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride Formula: C27H31ClN4O3S MolecularWeight: 527.07804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCNC(C2=O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=NC=C5.Cl

Isomeric SMILES

C1CN(CCC1CN2CCNC(C2=O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=NC=C5.Cl

InChI

InChI=1S/C27H30N4O3S.ClH/c32-27-26(35(33,34)25-8-6-23(7-9-25)22-4-2-1-3-5-22)29-16-19-31(27)20-21-12-17-30(18-13-21)24-10-14-28-15-11-24;/h1-11,14-15,21,26,29H,12-13,16-20H2;1H