ethyl 1-[(4-methylsulfanylphenyl)carbamoyl]-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-methylsulfanylphenyl)carbamoyl]-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-methylsulfanylphenyl)carbamoyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-(methylthio)anilino]-oxomethyl]-4-[[(2R)-2-oxanyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methylsulfanylphenyl)carbamoyl]-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(methylthio)phenyl]carbamoyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]isonipecotic acid ethyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=C(C=C2)SC)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=C(C=C2)SC)C[C@H]3CCCCO3

InChI

InChI=1S/C22H32N2O4S/c1-3-27-20(25)22(16-18-6-4-5-15-28-18)11-13-24(14-12-22)21(26)23-17-7-9-19(29-2)10-8-17/h7-10,18H,3-6,11-16H2,1-2H3,(H,23,26)/t18-/m1/s1