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

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinecarboxylic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylisonipecotic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C21H27ClN2O5S/c1-12(2)17-11-18(22)13(3)10-19(17)28-21(25)16-6-8-24(9-7-16)30(26,27)20-14(4)23-29-15(20)5/h10-12,16H,6-9H2,1-5H3