ethyl (3S)-1-[2-[(3-methoxyphenyl)carbonylamino]ethylsulfonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(3-methoxyphenyl)carbonylamino]ethylsulfonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(3-methoxybenzoyl)amino]ethylsulfonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[[(3-methoxyphenyl)-oxomethyl]amino]ethylsulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(3-methoxybenzoyl)amino]ethylsulfonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(m-anisoylamino)ethylsulfonyl]nipecotic acid ethyl ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C18H26N2O6S/c1-3-26-18(22)15-7-5-10-20(13-15)27(23,24)11-9-19-17(21)14-6-4-8-16(12-14)25-2/h4,6,8,12,15H,3,5,7,9-11,13H2,1-2H3,(H,19,21)/t15-/m0/s1