(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H23N5O5S/c1-24(2)32(29,30)15-9-10-19(25-11-5-6-12-25)17(13-15)21(28)31-14-26-20(27)16-7-3-4-8-18(16)22-23-26/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3