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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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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)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H24N4O6S/c1-31-19-11-10-16(14-20(19)33(29,30)25-12-6-2-3-7-13-25)22(28)32-15-26-21(27)17-8-4-5-9-18(17)23-24-26/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3