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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S/c25-19-17-9-2-3-10-18(17)21-22-24(19)14-29-20(26)15-7-6-8-16(13-15)30(27,28)23-11-4-1-5-12-23/h2-3,6-10,13H,1,4-5,11-12,14H2