(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H17ClN4O5S MolecularWeight: 448.88008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H17ClN4O5S/c20-13-7-9-14(10-8-13)30(27,28)24-11-3-6-17(24)19(26)29-12-23-18(25)15-4-1-2-5-16(15)21-22-23/h1-2,4-5,7-10,17H,3,6,11-12H2