(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H18N4O5S MolecularWeight: 438.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H18N4O5S/c26-20(30-14-25-21(27)18-7-3-4-8-19(18)23-24-25)11-12-22-31(28,29)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13,22H,11-12,14H2