(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N4O5S2/c23-17-14-4-1-2-5-15(14)19-20-22(17)12-27-18(24)13-7-9-21(10-8-13)29(25,26)16-6-3-11-28-16/h1-6,11,13H,7-10,12H2