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

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-prop-2-enylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-allylsulfonyl-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-prop-2-enylsulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-prop-2-enylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-allylsulfonyl-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S/c1-4-13-25(22,23)20-12-8-11-19(15-20,18(21)24-5-2)14-17-10-7-6-9-16(17)3/h4,6-7,9-10H,1,5,8,11-15H2,2-3H3/t19-/m0/s1