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

Systemtic Name: methyl 3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 5-phenyl-3-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-[(1-tosylisonipecotoyl)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)N2CCC(CC2)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC

InChI

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