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

Systemtic Name: methyl 1-[4-(thiophen-3-ylcarbonylamino)phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-(thiophene-3-carbonylamino)phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[oxo(3-thiophenyl)methyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(thiophene-3-carbonylamino)phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-(3-thenoylamino)phenyl]sulfonylnipecotic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CSC=C3

Isomeric SMILES

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CSC=C3

InChI

InChI=1S/C18H20N2O5S2/c1-25-18(22)13-3-2-9-20(11-13)27(23,24)16-6-4-15(5-7-16)19-17(21)14-8-10-26-12-14/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,19,21)