methyl 2-[5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: methyl 2-[5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: methyl 2-[5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 2-[5-[oxo-[4-(1-pyrrolidinylsulfonyl)anilino]methyl]-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 2-[5-[(4-pyrrolidinosulfonylphenyl)carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid methyl ester Formula: C23H21F3N4O5S MolecularWeight: 522.49685

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H21F3N4O5S/c1-35-22(32)17-6-2-3-7-18(17)30-19(14-20(28-30)23(24,25)26)21(31)27-15-8-10-16(11-9-15)36(33,34)29-12-4-5-13-29/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,27,31)