methyl 2-phenyl-4-pyrrolidin-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonyl-butanoate

Systemtic Name: methyl 2-phenyl-4-pyrrolidin-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonyl-butanoate Openeye Name: methyl 2-phenyl-4-pyrrolidin-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonyl-butanoate CAS Name: 2-phenyl-4-(1-pyrrolidinyl)-2-[[3-[4-(trifluoromethyl)phenoxy]-1-pyrrolidinyl]sulfonyl]butanoic acid methyl ester IUPAC Name: methyl 2-phenyl-4-pyrrolidin-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbutanoate Traditional Name: 2-phenyl-4-pyrrolidino-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidino]sulfonyl-butyric acid methyl ester Formula: C26H31F3N2O5S MolecularWeight: 540.59495

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1CCCC1)(C2=CC=CC=C2)S(=O)(=O)N3CCC(C3)OC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C(CCN1CCCC1)(C2=CC=CC=C2)S(=O)(=O)N3CCC(C3)OC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H31F3N2O5S/c1-35-24(32)25(20-7-3-2-4-8-20,14-18-30-15-5-6-16-30)37(33,34)31-17-13-23(19-31)36-22-11-9-21(10-12-22)26(27,28)29/h2-4,7-12,23H,5-6,13-19H2,1H3