2-chloranyl-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-5-piperidinosulfonyl-benzamide Formula: C26H23ClN6O3S MolecularWeight: 535.01722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)Cl

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)Cl

InChI

InChI=1S/C26H23ClN6O3S/c1-17-13-24(30-23-8-4-3-7-20(17)23)33-25(18(15-28)16-29-33)31-26(34)21-14-19(9-10-22(21)27)37(35,36)32-11-5-2-6-12-32/h3-4,7-10,13-14,16H,2,5-6,11-12H2,1H3,(H,31,34)