(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H15ClN4O5S MolecularWeight: 422.8428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4O5S/c18-12-5-7-13(8-6-12)28(25,26)19-10-9-16(23)27-11-22-17(24)14-3-1-2-4-15(14)20-21-22/h1-8,19H,9-11H2