4-chloranyl-5-ethylsulfonyl-2-(furan-2-ylmethylamino)benzoic acid

Systemtic Name: 4-chloranyl-5-ethylsulfonyl-2-(furan-2-ylmethylamino)benzoic acid Openeye Name: 4-chloro-5-ethylsulfonyl-2-(2-furylmethylamino)benzoic acid CAS Name: 4-chloro-5-ethylsulfonyl-2-(2-furanylmethylamino)benzoic acid IUPAC Name: 4-chloro-5-ethylsulfonyl-2-(furan-2-ylmethylamino)benzoic acid Traditional Name: 4-chloro-5-esyl-2-(2-furfurylamino)benzoic acid Formula: C14H14ClNO5S MolecularWeight: 343.78266

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CO2)Cl

Isomeric SMILES

CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CO2)Cl

InChI

InChI=1S/C14H14ClNO5S/c1-2-22(19,20)13-6-10(14(17)18)12(7-11(13)15)16-8-9-4-3-5-21-9/h3-7,16H,2,8H2,1H3,(H,17,18)