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

Systemtic Name: methyl 3-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 5-phenyl-3-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-[(1-tosylprolyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C24H24N2O5S2 MolecularWeight: 484.58776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H24N2O5S2/c1-16-10-12-18(13-11-16)33(29,30)26-14-6-9-20(26)23(27)25-19-15-21(17-7-4-3-5-8-17)32-22(19)24(28)31-2/h3-5,7-8,10-13,15,20H,6,9,14H2,1-2H3,(H,25,27)