N-(2-ethyl-6-methyl-phenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-acetamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)C

InChI

InChI=1S/C21H25N5O5S/c1-3-16-6-4-5-15(2)21(16)22-20(27)14-31-26-19-13-17(7-8-18(19)23-24-26)32(28,29)25-9-11-30-12-10-25/h4-8,13H,3,9-12,14H2,1-2H3,(H,22,27)