methyl 4-phenyl-3-pyrrolidin-1-ylsulfonyl-5-(trifluoromethyl)thiophene-2-carboxylate

Systemtic Name: methyl 4-phenyl-3-pyrrolidin-1-ylsulfonyl-5-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: methyl 4-phenyl-3-pyrrolidin-1-ylsulfonyl-5-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 4-phenyl-3-(1-pyrrolidinylsulfonyl)-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-3-pyrrolidin-1-ylsulfonyl-5-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 4-phenyl-3-pyrrolidinosulfonyl-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=C(C(=C(S1)C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3NO4S2/c1-25-16(22)13-14(27(23,24)21-9-5-6-10-21)12(11-7-3-2-4-8-11)15(26-13)17(18,19)20/h2-4,7-8H,5-6,9-10H2,1H3