N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide Traditional Name: 2-(4-keto-1,2,3-benzotriazin-3-yl)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H23N5O5S/c1-31-18-10-9-15(13-19(18)32(29,30)25-11-5-2-6-12-25)22-20(27)14-26-21(28)16-7-3-4-8-17(16)23-24-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,27)