methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-thiophen-2-ylcarbonyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-thiophen-2-ylcarbonyl-piperidine-4-carboxylate Openeye Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-thenoyl)isonipecotic acid methyl ester Formula: C22H23NO6S2 MolecularWeight: 461.55112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C22H23NO6S2/c1-3-4-15-29-17-7-9-18(10-8-17)31(26,27)22(21(25)28-2)11-13-23(14-12-22)20(24)19-6-5-16-30-19/h5-10,16H,11-15H2,1-2H3