ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=C(ON=C2C)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=C(ON=C2C)C)CC3=CC=CC=C3C

InChI

InChI=1S/C21H28N2O5S/c1-5-27-20(24)21(13-18-10-7-6-9-15(18)2)11-8-12-23(14-21)29(25,26)19-16(3)22-28-17(19)4/h6-7,9-10H,5,8,11-14H2,1-4H3