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

Systemtic Name: 2-chloranyl-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-5-morpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-5-morpholinosulfonyl-benzamide Formula: C25H21ClN6O4S MolecularWeight: 536.99004

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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)N5CCOCC5)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)N5CCOCC5)Cl

InChI

InChI=1S/C25H21ClN6O4S/c1-16-12-23(29-22-5-3-2-4-19(16)22)32-24(17(14-27)15-28-32)30-25(33)20-13-18(6-7-21(20)26)37(34,35)31-8-10-36-11-9-31/h2-7,12-13,15H,8-11H2,1H3,(H,30,33)