N-[4-(cyanomethyl)phenyl]-6-morpholin-4-ylsulfonyl-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-6-morpholin-4-ylsulfonyl-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-6-morpholinosulfonyl-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-6-(4-morpholinylsulfonyl)-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-keto-6-morpholinosulfonyl-1H-quinoline-4-carboxamide Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C22H20N4O5S/c23-8-7-15-1-3-16(4-2-15)24-22(28)19-14-21(27)25-20-6-5-17(13-18(19)20)32(29,30)26-9-11-31-12-10-26/h1-6,13-14H,7,9-12H2,(H,24,28)(H,25,27)