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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)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-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H20N4O5S/c1-14-8-10-15(11-9-14)30(27,28)24-12-4-7-18(24)20(26)29-13-23-19(25)16-5-2-3-6-17(16)21-22-23/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3