3-[(4-methoxy-2-oxidanyl-phenyl)-(1,2,3-triazin-4-yl)carbamoyl]benzenesulfonic acid

Systemtic Name: 3-[(4-methoxy-2-oxidanyl-phenyl)-(1,2,3-triazin-4-yl)carbamoyl]benzenesulfonic acid Openeye Name: 3-[(2-hydroxy-4-methoxy-phenyl)-(triazin-4-yl)carbamoyl]benzenesulfonic acid CAS Name: 3-[[2-hydroxy-4-methoxy-N-(4-triazinyl)anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 3-[(2-hydroxy-4-methoxyphenyl)-(triazin-4-yl)carbamoyl]benzenesulfonic acid Traditional Name: 3-[(2-hydroxy-4-methoxy-phenyl)-(triazin-4-yl)carbamoyl]besylic acid Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(C2=NN=NC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)N(C2=NN=NC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)O)O

InChI

InChI=1S/C17H14N4O6S/c1-27-12-5-6-14(15(22)10-12)21(16-7-8-18-20-19-16)17(23)11-3-2-4-13(9-11)28(24,25)26/h2-10,22H,1H3,(H,24,25,26)