(3-methoxyphenyl)-[(4R,6R)-2-oxidanyl-6-(phenylsulfanylmethyl)-4-propan-2-yl-piperidin-1-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(4R,6R)-2-oxidanyl-6-(phenylsulfanylmethyl)-4-propan-2-yl-piperidin-1-yl]methanone Openeye Name: [(4R,6R)-2-hydroxy-4-isopropyl-6-(phenylsulfanylmethyl)-1-piperidyl]-(3-methoxyphenyl)methanone CAS Name: [(4R,6R)-2-hydroxy-6-[(phenylthio)methyl]-4-propan-2-yl-1-piperidinyl]-(3-methoxyphenyl)methanone IUPAC Name: [(4R,6R)-2-hydroxy-6-(phenylsulfanylmethyl)-4-propan-2-ylpiperidin-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [(4R,6R)-2-hydroxy-4-isopropyl-6-[(phenylthio)methyl]piperidino]-(3-methoxyphenyl)methanone Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(N(C(C1)O)C(=O)C2=CC(=CC=C2)OC)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H]1C[C@@H](N(C(C1)O)C(=O)C2=CC(=CC=C2)OC)CSC3=CC=CC=C3

InChI

InChI=1S/C23H29NO3S/c1-16(2)18-12-19(15-28-21-10-5-4-6-11-21)24(22(25)14-18)23(26)17-8-7-9-20(13-17)27-3/h4-11,13,16,18-19,22,25H,12,14-15H2,1-3H3/t18-,19-,22?/m1/s1