(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H18N4O5S/c24-18-16-5-1-2-6-17(16)20-21-23(18)13-28-19(25)14-7-9-15(10-8-14)29(26,27)22-11-3-4-12-22/h1-2,5-10H,3-4,11-13H2