[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [(1S)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H30N2O6S/c1-19-10-11-21(18-22(19)34(30,31)27-14-16-32-17-15-27)25(29)33-23(20-8-4-2-5-9-20)24(28)26-12-6-3-7-13-26/h2,4-5,8-11,18,23H,3,6-7,12-17H2,1H3/t23-/m0/s1