N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide Openeye Name: 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(p-tolylsulfonyl)-4-piperidyl]acetamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide Traditional Name: 2-(4-keto-1,2,3-benzotriazin-3-yl)-N-(1-tosyl-4-piperidyl)acetamide Formula: C21H23N5O4S MolecularWeight: 441.50342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H23N5O4S/c1-15-6-8-17(9-7-15)31(29,30)25-12-10-16(11-13-25)22-20(27)14-26-21(28)18-4-2-3-5-19(18)23-24-26/h2-9,16H,10-14H2,1H3,(H,22,27)