(2-methylphenyl)methyl 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-methylphenyl)methyl 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: o-tolylmethyl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid (2-methylbenzyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H25NO5S/c1-16-6-3-4-7-20(16)15-28-22(25)18-10-12-23(13-11-18)29(26,27)21-9-5-8-19(14-21)17(2)24/h3-9,14,18H,10-13,15H2,1-2H3