methyl 3-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-4-fluoro-benzoate CAS Name: 3-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4-fluorobenzoate Traditional Name: 3-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]-4-fluoro-benzoic acid methyl ester Formula: C19H18ClFN2O5S MolecularWeight: 440.873023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClFN2O5S/c1-28-19(25)12-4-7-16(21)17(10-12)22-18(24)14-11-13(5-6-15(14)20)29(26,27)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H,22,24)