(4-chloranyl-3-methyl-phenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-3-methyl-phenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (4-chloro-3-methyl-phenyl) ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C21H24ClNO5S/c1-3-27-17-4-7-19(8-5-17)29(25,26)23-12-10-16(11-13-23)21(24)28-18-6-9-20(22)15(2)14-18/h4-9,14,16H,3,10-13H2,1-2H3