N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-keto-1,2,3-benzotriazin-3-yl)acetamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H25N5O5S/c1-32-20-11-10-16(33(30,31)26-12-6-2-3-7-13-26)14-19(20)23-21(28)15-27-22(29)17-8-4-5-9-18(17)24-25-27/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,28)