methyl 3-[(4-sulfamoyloxyphenyl)carbonylamino]-5-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: methyl 3-[(4-sulfamoyloxyphenyl)carbonylamino]-5-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: methyl 3-[(4-sulfamoyloxybenzoyl)amino]-5-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 3-[[oxo-(4-sulfamoyloxyphenyl)methyl]amino]-5-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-sulfamoyloxybenzoyl)amino]-5-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 3-[(4-sulfamoyloxybenzoyl)amino]-5-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)N)CN3C=NC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)N)CN3C=NC=N3

InChI

InChI=1S/C18H17N5O6S/c1-28-18(25)14-6-12(9-23-11-20-10-21-23)7-15(8-14)22-17(24)13-2-4-16(5-3-13)29-30(19,26)27/h2-8,10-11H,9H2,1H3,(H,22,24)(H2,19,26,27)