(2,6-dimethylphenyl) 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Openeye Name: (2,6-dimethylphenyl) 1-(2-thienylsulfonyl)piperidine-3-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Traditional Name: 1-(2-thienylsulfonyl)nipecotic acid (2,6-dimethylphenyl) ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21NO4S2/c1-13-6-3-7-14(2)17(13)23-18(20)15-8-4-10-19(12-15)25(21,22)16-9-5-11-24-16/h3,5-7,9,11,15H,4,8,10,12H2,1-2H3