methyl 2-(5-butyl-2-oxidanyl-phenyl)-6-[(ethoxycarbonylamino)carbamoyl]benzotriazole-5-sulfonate

Systemtic Name: methyl 2-(5-butyl-2-oxidanyl-phenyl)-6-[(ethoxycarbonylamino)carbamoyl]benzotriazole-5-sulfonate Openeye Name: methyl 2-(5-butyl-2-hydroxy-phenyl)-6-[(ethoxycarbonylamino)carbamoyl]benzotriazole-5-sulfonate CAS Name: 2-(5-butyl-2-hydroxyphenyl)-6-[(ethoxycarbonylhydrazo)-oxomethyl]-5-benzotriazolesulfonic acid methyl ester IUPAC Name: methyl 2-(5-butyl-2-hydroxyphenyl)-6-[(ethoxycarbonylamino)carbamoyl]benzotriazole-5-sulfonate Traditional Name: 2-(5-butyl-2-hydroxy-phenyl)-6-[(carbethoxyamino)carbamoyl]benzotriazole-5-sulfonic acid methyl ester Formula: C21H25N5O7S MolecularWeight: 491.5175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)O)N2N=C3C=C(C(=CC3=N2)S(=O)(=O)OC)C(=O)NNC(=O)OCC

Isomeric SMILES

CCCCC1=CC(=C(C=C1)O)N2N=C3C=C(C(=CC3=N2)S(=O)(=O)OC)C(=O)NNC(=O)OCC

InChI

InChI=1S/C21H25N5O7S/c1-4-6-7-13-8-9-18(27)17(10-13)26-24-15-11-14(20(28)22-23-21(29)33-5-2)19(12-16(15)25-26)34(30,31)32-3/h8-12,27H,4-7H2,1-3H3,(H,22,28)(H,23,29)