(3,4-dimethylphenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (3,4-dimethylphenyl) 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (3,4-dimethylphenyl) ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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