ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[[4-(2-thienyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[(4-thiophen-2-ylphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-thienyl)benzyl]isonipecotic acid ethyl ester Formula: C26H29NO5S2 MolecularWeight: 499.64216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H29NO5S2/c1-3-32-25(28)26(34(29,30)23-12-10-22(31-2)11-13-23)14-16-27(17-15-26)19-20-6-8-21(9-7-20)24-5-4-18-33-24/h4-13,18H,3,14-17,19H2,1-2H3