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

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinecarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylnipecotic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C21H22ClN3O5S/c1-13-19(14(2)30-24-13)31(27,28)25-9-5-7-16(11-25)21(26)29-12-17-10-15-6-3-4-8-18(15)23-20(17)22/h3-4,6,8,10,16H,5,7,9,11-12H2,1-2H3