[3-(trifluoromethyl)phenyl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C20H20F3NO5S MolecularWeight: 443.43671

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H20F3NO5S/c1-28-17-8-7-15(12-18(17)30(26,27)24-9-2-3-10-24)19(25)29-13-14-5-4-6-16(11-14)20(21,22)23/h4-8,11-12H,2-3,9-10,13H2,1H3