4-chloranyl-2-(furan-2-ylmethylamino)-5-(phenylmethyl)sulfinyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-(phenylmethyl)sulfinyl-benzoic acid Openeye Name: 5-benzylsulfinyl-4-chloro-2-(2-furylmethylamino)benzoic acid CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-(phenylmethyl)sulfinylbenzoic acid IUPAC Name: 5-benzylsulfinyl-4-chloro-2-(furan-2-ylmethylamino)benzoic acid Traditional Name: 5-benzylsulfinyl-4-chloro-2-(2-furfurylamino)benzoic acid Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)C2=C(C=C(C(=C2)C(=O)O)NCC3=CC=CO3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)C2=C(C=C(C(=C2)C(=O)O)NCC3=CC=CO3)Cl

InChI

InChI=1S/C19H16ClNO4S/c20-16-10-17(21-11-14-7-4-8-25-14)15(19(22)23)9-18(16)26(24)12-13-5-2-1-3-6-13/h1-10,21H,11-12H2,(H,22,23)