ethyl 3-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 5-phenyl-3-[[1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-[(1-tosylnipecotoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C26H28N2O5S2 MolecularWeight: 512.64092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H28N2O5S2/c1-3-33-26(30)24-22(16-23(34-24)19-8-5-4-6-9-19)27-25(29)20-10-7-15-28(17-20)35(31,32)21-13-11-18(2)12-14-21/h4-6,8-9,11-14,16,20H,3,7,10,15,17H2,1-2H3,(H,27,29)