4-chloranyl-2-(furan-3-ylmethylamino)-5-(phenylmethyl)sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(furan-3-ylmethylamino)-5-(phenylmethyl)sulfonyl-benzoic acid Openeye Name: 5-benzylsulfonyl-4-chloro-2-(3-furylmethylamino)benzoic acid CAS Name: 4-chloro-2-(3-furanylmethylamino)-5-(phenylmethyl)sulfonylbenzoic acid IUPAC Name: 5-benzylsulfonyl-4-chloro-2-(furan-3-ylmethylamino)benzoic acid Traditional Name: 5-benzylsulfonyl-4-chloro-2-(3-furfurylamino)benzoic acid Formula: C19H16ClNO5S MolecularWeight: 405.85204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)NCC3=COC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)NCC3=COC=C3)Cl

InChI

InChI=1S/C19H16ClNO5S/c20-16-9-17(21-10-14-6-7-26-11-14)15(19(22)23)8-18(16)27(24,25)12-13-4-2-1-3-5-13/h1-9,11,21H,10,12H2,(H,22,23)