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

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-(phenylcarbamoylsulfonyl)benzoic acid Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-(phenylcarbamoylsulfonyl)benzoic acid CAS Name: 5-[anilino(oxo)methyl]sulfonyl-4-chloro-2-(2-furanylmethylamino)benzoic acid IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-(phenylcarbamoylsulfonyl)benzoic acid Traditional Name: 4-chloro-2-(2-furfurylamino)-5-(phenylcarbamoylsulfonyl)benzoic acid Formula: C19H15ClN2O6S MolecularWeight: 434.8502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)NCC3=CC=CO3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)NCC3=CC=CO3)Cl

InChI

InChI=1S/C19H15ClN2O6S/c20-15-10-16(21-11-13-7-4-8-28-13)14(18(23)24)9-17(15)29(26,27)19(25)22-12-5-2-1-3-6-12/h1-10,21H,11H2,(H,22,25)(H,23,24)