ethyl (3S)-3-[(2-methylphenyl)methyl]-1-methylsulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-methylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-methylsulfonyl-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-methylsulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-mesyl-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C)CC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)S(=O)(=O)C)CC2=CC=CC=C2C

InChI

InChI=1S/C17H25NO4S/c1-4-22-16(19)17(12-15-9-6-5-8-14(15)2)10-7-11-18(13-17)23(3,20)21/h5-6,8-9H,4,7,10-13H2,1-3H3/t17-/m0/s1