methyl 4-(4-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate

Systemtic Name: methyl 4-(4-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: methyl 4-(4-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 4-[4-(1-pyrrolidinylsulfonyl)phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 4-(4-pyrrolidinosulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylic acid methyl ester Formula: C17H16F3NO4S2 MolecularWeight: 419.43845

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H16F3NO4S2/c1-25-16(22)14-10-13(15(26-14)17(18,19)20)11-4-6-12(7-5-11)27(23,24)21-8-2-3-9-21/h4-7,10H,2-3,8-9H2,1H3