(3S,4S,5S)-4-oxidanyl-3-[(2R)-1-(phenylmethyl)piperidin-2-yl]-5-phenylsulfanyl-oxepan-2-one

Systemtic Name: (3S,4S,5S)-4-oxidanyl-3-[(2R)-1-(phenylmethyl)piperidin-2-yl]-5-phenylsulfanyl-oxepan-2-one Openeye Name: (3S,4S,5S)-3-[(2R)-1-benzyl-2-piperidyl]-4-hydroxy-5-phenylsulfanyl-oxepan-2-one CAS Name: (3S,4S,5S)-4-hydroxy-3-[(2R)-1-(phenylmethyl)-2-piperidinyl]-5-(phenylthio)-2-oxepanone IUPAC Name: (3S,4S,5S)-3-[(2R)-1-benzylpiperidin-2-yl]-4-hydroxy-5-phenylsulfanyloxepan-2-one Traditional Name: (3S,4S,5S)-3-[(2R)-1-benzyl-2-piperidyl]-4-hydroxy-5-(phenylthio)oxepan-2-one Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2C(C(CCOC2=O)SC3=CC=CC=C3)O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN([C@H](C1)[C@H]2[C@@H]([C@H](CCOC2=O)SC3=CC=CC=C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H29NO3S/c26-23-21(29-19-11-5-2-6-12-19)14-16-28-24(27)22(23)20-13-7-8-15-25(20)17-18-9-3-1-4-10-18/h1-6,9-12,20-23,26H,7-8,13-17H2/t20-,21+,22+,23-/m1/s1