methyl 3-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[3-(4-fluorophenyl)sulfonyl-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O5S/c1-29-21(26)15-4-9-19(24-11-2-3-12-24)18(14-15)23-20(25)10-13-30(27,28)17-7-5-16(22)6-8-17/h4-9,14H,2-3,10-13H2,1H3,(H,23,25)