methyl 1-[4-(2-thiophen-2-ylethanoylamino)phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-(2-thiophen-2-ylethanoylamino)phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[[2-(2-thienyl)acetyl]amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[[2-(2-thienyl)acetyl]amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CS3

Isomeric SMILES

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CS3

InChI

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