(2,5-dimethylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2,5-dimethylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (2,5-dimethylbenzyl) ester Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H23NO4S2/c1-14-5-6-15(2)17(12-14)13-24-19(21)16-7-9-20(10-8-16)26(22,23)18-4-3-11-25-18/h3-6,11-12,16H,7-10,13H2,1-2H3