4-chloranyl-2-[furan-2-ylmethyl-(1-oxidanylideneisothiochromen-3-yl)carbonyl-amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-2-[furan-2-ylmethyl-(1-oxidanylideneisothiochromen-3-yl)carbonyl-amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-[2-furylmethyl-(1-oxoisothiochromene-3-carbonyl)amino]-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-2-[2-furanylmethyl-[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-[furan-2-ylmethyl-(1-oxoisothiochromene-3-carbonyl)amino]-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-[2-furfuryl-(1-ketoisothiochromene-3-carbonyl)amino]-5-sulfamoyl-benzoic acid Formula: C22H15ClN2O7S2 MolecularWeight: 518.9467

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)N(CC3=CC=CO3)C4=CC(=C(C=C4C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)N(CC3=CC=CO3)C4=CC(=C(C=C4C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C22H15ClN2O7S2/c23-16-10-17(15(21(27)28)9-19(16)34(24,30)31)25(11-13-5-3-7-32-13)20(26)18-8-12-4-1-2-6-14(12)22(29)33-18/h1-10H,11H2,(H,27,28)(H2,24,30,31)