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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-keto-1,2,3-benzotriazin-3-yl)acetamide Formula: C21H22ClN5O4S MolecularWeight: 475.94848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22ClN5O4S/c22-17-10-9-15(32(30,31)26-11-5-1-2-6-12-26)13-19(17)23-20(28)14-27-21(29)16-7-3-4-8-18(16)24-25-27/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,23,28)