methyl 2-(5-butyl-2-oxidanyl-phenyl)-6-(propylaminocarbamoyl)benzotriazole-5-sulfonate

Systemtic Name: methyl 2-(5-butyl-2-oxidanyl-phenyl)-6-(propylaminocarbamoyl)benzotriazole-5-sulfonate Openeye Name: methyl 2-(5-butyl-2-hydroxy-phenyl)-6-(propylaminocarbamoyl)benzotriazole-5-sulfonate CAS Name: 2-(5-butyl-2-hydroxyphenyl)-6-[oxo-(propylhydrazo)methyl]-5-benzotriazolesulfonic acid methyl ester IUPAC Name: methyl 2-(5-butyl-2-hydroxyphenyl)-6-(propylaminocarbamoyl)benzotriazole-5-sulfonate Traditional Name: 2-(5-butyl-2-hydroxy-phenyl)-6-(propylaminocarbamoyl)benzotriazole-5-sulfonic acid methyl ester Formula: C21H27N5O5S MolecularWeight: 461.53458

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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)NNCCC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O5S/c1-4-6-7-14-8-9-19(27)18(11-14)26-24-16-12-15(21(28)23-22-10-5-2)20(13-17(16)25-26)32(29,30)31-3/h8-9,11-13,22,27H,4-7,10H2,1-3H3,(H,23,28)