3-ethanoyl-1-phenyldiazenyl-6-piperidin-1-ylsulfonyl-cinnolin-4-one

Systemtic Name: 3-ethanoyl-1-phenyldiazenyl-6-piperidin-1-ylsulfonyl-cinnolin-4-one Openeye Name: 3-acetyl-1-phenylazo-6-(1-piperidylsulfonyl)cinnolin-4-one CAS Name: 3-acetyl-1-phenyldiazenyl-6-(1-piperidinylsulfonyl)-4-cinnolinone IUPAC Name: 3-acetyl-1-phenyldiazenyl-6-piperidin-1-ylsulfonylcinnolin-4-one Traditional Name: 3-acetyl-1-phenylazo-6-piperidinosulfonyl-cinnolin-4-one Formula: C21H21N5O4S MolecularWeight: 439.48754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCC3)N=NC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCC3)N=NC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4S/c1-15(27)20-21(28)18-14-17(31(29,30)25-12-6-3-7-13-25)10-11-19(18)26(23-20)24-22-16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3