2-[4-(azepan-1-ylsulfonyl)phenyl]-1-oxidanyl-4H-1,2,4-benzotriazin-3-one

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-1-oxidanyl-4H-1,2,4-benzotriazin-3-one Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-1-hydroxy-4H-1,2,4-benzotriazin-3-one CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-1-hydroxy-4H-1,2,4-benzotriazin-3-one IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-1-hydroxy-4H-1,2,4-benzotriazin-3-one Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-1-hydroxy-4H-1,2,4-benzotriazin-3-one Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)NC4=CC=CC=C4N3O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)NC4=CC=CC=C4N3O

InChI

InChI=1S/C19H22N4O4S/c24-19-20-17-7-3-4-8-18(17)23(25)22(19)15-9-11-16(12-10-15)28(26,27)21-13-5-1-2-6-14-21/h3-4,7-12,25H,1-2,5-6,13-14H2,(H,20,24)