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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-keto-1,2,3-benzotriazin-3-yl)propionamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H25N5O4S/c28-21(13-16-27-22(29)19-7-3-4-8-20(19)24-25-27)23-17-9-11-18(12-10-17)32(30,31)26-14-5-1-2-6-15-26/h3-4,7-12H,1-2,5-6,13-16H2,(H,23,28)