2-[6-[(4-chloranyl-3-methoxycarbonyl-phenyl)sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-chloranyl-3-methoxycarbonyl-phenyl)sulfamoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[6-[(4-chloro-3-methoxycarbonyl-phenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[6-[(4-chloro-3-methoxycarbonylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[6-[(4-chloro-3-methoxycarbonylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[6-[(3-carbomethoxy-4-chloro-phenyl)sulfamoyl]-3-keto-1,4-benzoxazin-4-yl]acetic acid Formula: C18H15ClN2O8S MolecularWeight: 454.8383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)O)Cl

InChI

InChI=1S/C18H15ClN2O8S/c1-28-18(25)12-6-10(2-4-13(12)19)20-30(26,27)11-3-5-15-14(7-11)21(8-17(23)24)16(22)9-29-15/h2-7,20H,8-9H2,1H3,(H,23,24)