N-(4-bromanyl-3-methyl-phenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxy-ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxy-ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxy-acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(6-methylsulfonyl-1-benzotriazolyl)oxy]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(6-mesylbenzotriazol-1-yl)oxy-acetamide Formula: C16H15BrN4O4S MolecularWeight: 439.2837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)C)N=N2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)C)N=N2)Br

InChI

InChI=1S/C16H15BrN4O4S/c1-10-7-11(3-5-13(10)17)18-16(22)9-25-21-15-8-12(26(2,23)24)4-6-14(15)19-20-21/h3-8H,9H2,1-2H3,(H,18,22)