N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(6-chloranylbenzotriazol-1-yl)oxy-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(6-chloranylbenzotriazol-1-yl)oxy-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(6-chlorobenzotriazol-1-yl)oxy-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(6-chloro-1-benzotriazolyl)oxy]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(6-chlorobenzotriazol-1-yl)oxyacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(6-chlorobenzotriazol-1-yl)oxy-acetamide Formula: C21H24ClN5O4S MolecularWeight: 477.96436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H24ClN5O4S/c1-15-6-8-17(13-20(15)32(29,30)26-10-4-2-3-5-11-26)23-21(28)14-31-27-19-12-16(22)7-9-18(19)24-25-27/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,28)