(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]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-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H24N4O5S/c1-15-10-11-17(32(29,30)26-12-6-5-7-16(26)2)13-19(15)22(28)31-14-25-21(27)18-8-3-4-9-20(18)23-24-25/h3-4,8-11,13,16H,5-7,12,14H2,1-2H3