1-[1-[(E)-3-[2-(3-methylbutylsulfanyl)phenyl]prop-2-enoyl]piperidin-4-yl]-3-oxidanyl-propan-1-one

Systemtic Name: 1-[1-[(E)-3-[2-(3-methylbutylsulfanyl)phenyl]prop-2-enoyl]piperidin-4-yl]-3-oxidanyl-propan-1-one Openeye Name: 3-hydroxy-1-[1-[(E)-3-(2-isopentylsulfanylphenyl)prop-2-enoyl]-4-piperidyl]propan-1-one CAS Name: 3-hydroxy-1-[1-[(E)-3-[2-(3-methylbutylthio)phenyl]-1-oxoprop-2-enyl]-4-piperidinyl]-1-propanone IUPAC Name: 3-hydroxy-1-[1-[(E)-3-[2-(3-methylbutylsulfanyl)phenyl]prop-2-enoyl]piperidin-4-yl]propan-1-one Traditional Name: 3-hydroxy-1-[1-[(E)-3-[2-(isoamylthio)phenyl]acryloyl]-4-piperidyl]propan-1-one Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=CC=C1C=CC(=O)N2CCC(CC2)C(=O)CCO

Isomeric SMILES

CC(C)CCSC1=CC=CC=C1/C=C/C(=O)N2CCC(CC2)C(=O)CCO

InChI

InChI=1S/C22H31NO3S/c1-17(2)12-16-27-21-6-4-3-5-19(21)7-8-22(26)23-13-9-18(10-14-23)20(25)11-15-24/h3-8,17-18,24H,9-16H2,1-2H3/b8-7+