(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(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 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic 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:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N4O5S/c1-15-9-10-16(31(28,29)24-11-5-2-6-12-24)13-18(15)21(27)30-14-25-20(26)17-7-3-4-8-19(17)22-23-25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3