(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(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-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20N4O6S/c1-29-17-9-8-14(12-18(17)31(27,28)23-10-4-5-11-23)20(26)30-13-24-19(25)15-6-2-3-7-16(15)21-22-24/h2-3,6-9,12H,4-5,10-11,13H2,1H3