(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N4O5S/c26-20(30-15-25-21(27)18-6-2-3-7-19(18)22-23-25)14-16-8-10-17(11-9-16)31(28,29)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-15H2