(2,3,6-trimethylphenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (2,3,6-trimethylphenyl) ester Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S2/c1-13-6-7-14(2)18(15(13)3)24-19(21)16-8-10-20(11-9-16)26(22,23)17-5-4-12-25-17/h4-7,12,16H,8-11H2,1-3H3