2-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]propyl pyridine-3-carboxylate

Systemtic Name: 2-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]propyl pyridine-3-carboxylate Openeye Name: 2-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)propyl ester IUPAC Name: 2-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)propyl pyridine-3-carboxylate Traditional Name: nicotinic 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=CN=CC=C1)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(COC(=O)C1=CN=CC=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)15-3-2-10-25-12-15)26(20-11-17(23)6-9-19(20)24)31(28,29)18-7-4-16(22)5-8-18/h2-12,14H,13H2,1H3