4-(4-prop-1-en-2-ylphenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride

Systemtic Name: 4-(4-prop-1-en-2-ylphenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Openeye Name: 4-(4-isopropenylphenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride CAS Name: 4-[4-(1-methylethenyl)phenyl]sulfonyl-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone hydrochloride IUPAC Name: 4-(4-prop-1-en-2-ylphenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Traditional Name: 4-(4-isopropenylphenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride Formula: C24H31ClN4O3S MolecularWeight: 491.04594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)CC3CCN(CC3)C4=CC=NC=C4.Cl

Isomeric SMILES

CC(=C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)CC3CCN(CC3)C4=CC=NC=C4.Cl

InChI

InChI=1S/C24H30N4O3S.ClH/c1-19(2)21-3-5-23(6-4-21)32(30,31)28-16-15-27(24(29)18-28)17-20-9-13-26(14-10-20)22-7-11-25-12-8-22;/h3-8,11-12,20H,1,9-10,13-18H2,2H3;1H