4-(4-ethenylphenyl)sulfonyl-3-(piperidin-4-ylmethyl)-1-pyridin-4-yl-piperazin-2-one hydrochloride

Systemtic Name: 4-(4-ethenylphenyl)sulfonyl-3-(piperidin-4-ylmethyl)-1-pyridin-4-yl-piperazin-2-one hydrochloride Openeye Name: 3-(4-piperidylmethyl)-1-(4-pyridyl)-4-(4-vinylphenyl)sulfonyl-piperazin-2-one hydrochloride CAS Name: 4-(4-ethenylphenyl)sulfonyl-3-(4-piperidinylmethyl)-1-pyridin-4-yl-2-piperazinone hydrochloride IUPAC Name: 4-(4-ethenylphenyl)sulfonyl-3-(piperidin-4-ylmethyl)-1-pyridin-4-ylpiperazin-2-one hydrochloride Traditional Name: 3-(4-piperidylmethyl)-1-(4-pyridyl)-4-(4-vinylphenyl)sulfonyl-piperazin-2-one hydrochloride Formula: C23H29ClN4O3S MolecularWeight: 477.01936

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2CC3CCNCC3)C4=CC=NC=C4.Cl

Isomeric SMILES

C=CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2CC3CCNCC3)C4=CC=NC=C4.Cl

InChI

InChI=1S/C23H28N4O3S.ClH/c1-2-18-3-5-21(6-4-18)31(29,30)27-16-15-26(20-9-13-25-14-10-20)23(28)22(27)17-19-7-11-24-12-8-19;/h2-6,9-10,13-14,19,22,24H,1,7-8,11-12,15-17H2;1H