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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(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 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

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

InChI

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