pyridin-2-ylmethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: pyridin-2-ylmethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-pyridylmethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid 2-pyridylmethyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC=N3)C

InChI

InChI=1S/C20H24N2O4S/c1-15-6-7-19(13-16(15)2)27(24,25)22-11-8-17(9-12-22)20(23)26-14-18-5-3-4-10-21-18/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3