3-(methoxycarbonylamino)-1-(phenylcarbonyl)-2,1,4-benzothiadiazine-7-sulfonic acid

Systemtic Name: 3-(methoxycarbonylamino)-1-(phenylcarbonyl)-2,1,4-benzothiadiazine-7-sulfonic acid Openeye Name: 1-benzoyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazine-7-sulfonic acid CAS Name: 1-benzoyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazine-7-sulfonic acid IUPAC Name: 1-benzoyl-3-(methoxycarbonylamino)-2,1,4-benzothiadiazine-7-sulfonic acid Traditional Name: 1-benzoyl-3-(carbomethoxyamino)-2,1,4-benzothiadiazine-7-sulfonic acid Formula: C16H13N3O6S2 MolecularWeight: 407.42092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(C=C(C=C2)S(=O)(=O)O)N(S1)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)NC1=NC2=C(C=C(C=C2)S(=O)(=O)O)N(S1)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O6S2/c1-25-16(21)18-15-17-12-8-7-11(27(22,23)24)9-13(12)19(26-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18,21)(H,22,23,24)