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

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C18H26ClNO4S MolecularWeight: 387.92134

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C(=C2)C)Cl)C(C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C(=C2)C)Cl)C(C)C

InChI

InChI=1S/C18H26ClNO4S/c1-5-25(22,23)20-8-6-14(7-9-20)18(21)24-17-10-13(4)16(19)11-15(17)12(2)3/h10-12,14H,5-9H2,1-4H3