(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H17ClN4O6S MolecularWeight: 464.87948

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)Cl

InChI

InChI=1S/C19H17ClN4O6S/c20-15-6-5-13(11-17(15)31(27,28)23-7-9-29-10-8-23)19(26)30-12-24-18(25)14-3-1-2-4-16(14)21-22-24/h1-6,11H,7-10,12H2