(3R,4S,5S)-4-oxidanyl-5-phenylsulfanyl-3-[(2R)-piperidin-2-yl]oxepan-2-one

Systemtic Name: (3R,4S,5S)-4-oxidanyl-5-phenylsulfanyl-3-[(2R)-piperidin-2-yl]oxepan-2-one Openeye Name: (3R,4S,5S)-4-hydroxy-5-phenylsulfanyl-3-[(2R)-2-piperidyl]oxepan-2-one CAS Name: (3R,4S,5S)-4-hydroxy-5-(phenylthio)-3-[(2R)-2-piperidinyl]-2-oxepanone IUPAC Name: (3R,4S,5S)-4-hydroxy-5-phenylsulfanyl-3-[(2R)-piperidin-2-yl]oxepan-2-one Traditional Name: (3R,4S,5S)-4-hydroxy-5-(phenylthio)-3-[(2R)-2-piperidyl]oxepan-2-one Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C2C(C(CCOC2=O)SC3=CC=CC=C3)O

Isomeric SMILES

C1CCN[C@H](C1)[C@@H]2[C@@H]([C@H](CCOC2=O)SC3=CC=CC=C3)O

InChI

InChI=1S/C17H23NO3S/c19-16-14(22-12-6-2-1-3-7-12)9-11-21-17(20)15(16)13-8-4-5-10-18-13/h1-3,6-7,13-16,18-19H,4-5,8-11H2/t13-,14+,15-,16-/m1/s1