[3-(thiophen-2-ylcarbonylamino)phenyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [3-(thiophen-2-ylcarbonylamino)phenyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [3-(thiophene-2-carbonylamino)phenyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [3-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [3-(thiophene-2-carbonylamino)phenyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [3-(2-thenoylamino)phenyl] ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H22N2O5S2/c1-2-28(24,25)21-10-8-14(9-11-21)19(23)26-16-6-3-5-15(13-16)20-18(22)17-7-4-12-27-17/h3-7,12-14H,2,8-11H2,1H3,(H,20,22)