ethyl (3S)-1-(2-methoxycarbonylphenyl)sulfonyl-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-methoxycarbonylphenyl)sulfonyl-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-(2-methoxycarbonylphenyl)sulfonyl-piperidine-3-carboxylate CAS Name: (3S)-1-(2-methoxycarbonylphenyl)sulfonyl-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-(2-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-3-benzyl-1-(2-carbomethoxyphenyl)sulfonyl-nipecotic acid ethyl ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CC=CC=C2C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)S(=O)(=O)C2=CC=CC=C2C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C23H27NO6S/c1-3-30-22(26)23(16-18-10-5-4-6-11-18)14-9-15-24(17-23)31(27,28)20-13-8-7-12-19(20)21(25)29-2/h4-8,10-13H,3,9,14-17H2,1-2H3/t23-/m0/s1