4-chloranyl-5-[(4-ethylphenyl)methylsulfinyl]-2-(furan-2-ylmethylamino)benzoic acid

Systemtic Name: 4-chloranyl-5-[(4-ethylphenyl)methylsulfinyl]-2-(furan-2-ylmethylamino)benzoic acid Openeye Name: 4-chloro-5-[(4-ethylphenyl)methylsulfinyl]-2-(2-furylmethylamino)benzoic acid CAS Name: 4-chloro-5-[(4-ethylphenyl)methylsulfinyl]-2-(2-furanylmethylamino)benzoic acid IUPAC Name: 4-chloro-5-[(4-ethylphenyl)methylsulfinyl]-2-(furan-2-ylmethylamino)benzoic acid Traditional Name: 4-chloro-5-(4-ethylbenzyl)sulfinyl-2-(2-furfurylamino)benzoic acid Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CS(=O)C2=C(C=C(C(=C2)C(=O)O)NCC3=CC=CO3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)CS(=O)C2=C(C=C(C(=C2)C(=O)O)NCC3=CC=CO3)Cl

InChI

InChI=1S/C21H20ClNO4S/c1-2-14-5-7-15(8-6-14)13-28(26)20-10-17(21(24)25)19(11-18(20)22)23-12-16-4-3-9-27-16/h3-11,23H,2,12-13H2,1H3,(H,24,25)