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

Systemtic Name: methyl 3-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-[(1-tosylnipecotoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H26N2O5S2/c1-17-10-12-20(13-11-17)34(30,31)27-14-6-9-19(16-27)24(28)26-21-15-22(18-7-4-3-5-8-18)33-23(21)25(29)32-2/h3-5,7-8,10-13,15,19H,6,9,14,16H2,1-2H3,(H,26,28)