2-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]propyl pyridine-4-carboxylate

Systemtic Name: 2-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]propyl pyridine-4-carboxylate Openeye Name: 2-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid 2-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)propyl ester IUPAC Name: 2-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)propyl pyridine-4-carboxylate Traditional Name: isonicotinic acid 2-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)propyl ester Formula: C21H17ClF2N2O4S MolecularWeight: 466.885486

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=NC=C1)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(COC(=O)C1=CC=NC=C1)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClF2N2O4S/c1-14(13-30-21(27)15-8-10-25-11-9-15)26(20-12-17(23)4-7-19(20)24)31(28,29)18-5-2-16(22)3-6-18/h2-12,14H,13H2,1H3