(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C17H24ClNO4S MolecularWeight: 373.89476

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClNO4S/c1-11(2)14-10-15(18)12(3)9-16(14)23-17(20)13-5-7-19(8-6-13)24(4,21)22/h9-11,13H,5-8H2,1-4H3