(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H20N4O5S2/c24-17(28-13-23-19(25)15-6-2-3-7-16(15)20-21-23)12-14-8-9-18(29-14)30(26,27)22-10-4-1-5-11-22/h2-3,6-9H,1,4-5,10-13H2