2-(3-chloranyl-4-sulfanyl-phenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one

Systemtic Name: 2-(3-chloranyl-4-sulfanyl-phenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: 2-(3-chloro-4-sulfanyl-phenyl)-1-[2-(hydroxymethyl)-1-piperidyl]prop-2-en-1-one CAS Name: 2-(3-chloro-4-mercaptophenyl)-1-[2-(hydroxymethyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: 2-(3-chloro-4-sulfanylphenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: 2-(3-chloro-4-mercapto-phenyl)-1-(2-methylolpiperidino)prop-2-en-1-one Formula: C15H18ClNO2S MolecularWeight: 311.82692

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)Cl)C(=O)N2CCCCC2CO

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)Cl)C(=O)N2CCCCC2CO

InChI

InChI=1S/C15H18ClNO2S/c1-10(11-5-6-14(20)13(16)8-11)15(19)17-7-3-2-4-12(17)9-18/h5-6,8,12,18,20H,1-4,7,9H2