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

Systemtic Name: 1-[piperidin-4-yl(pyridin-4-yl)methyl]-4-(4-prop-1-en-2-ylphenyl)sulfonyl-piperazin-2-one hydrochloride Openeye Name: 4-(4-isopropenylphenyl)sulfonyl-1-[4-piperidyl(4-pyridyl)methyl]piperazin-2-one hydrochloride CAS Name: 4-[4-(1-methylethenyl)phenyl]sulfonyl-1-[4-piperidinyl(pyridin-4-yl)methyl]-2-piperazinone hydrochloride IUPAC Name: 1-[piperidin-4-yl(pyridin-4-yl)methyl]-4-(4-prop-1-en-2-ylphenyl)sulfonylpiperazin-2-one hydrochloride Traditional Name: 4-(4-isopropenylphenyl)sulfonyl-1-[4-piperidyl(4-pyridyl)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)C(C3CCNCC3)C4=CC=NC=C4.Cl

Isomeric SMILES

CC(=C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)C(C3CCNCC3)C4=CC=NC=C4.Cl

InChI

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