5-(4-chlorophenyl)sulfinyl-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-cinnoline-3-carboxamide

Systemtic Name: 5-(4-chlorophenyl)sulfinyl-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: 5-(4-chlorophenyl)sulfinyl-1-methyl-6-(morpholinomethyl)-4-oxo-cinnoline-3-carboxamide CAS Name: 5-(4-chlorophenyl)sulfinyl-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: 5-(4-chlorophenyl)sulfinyl-1-methyl-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: 5-(4-chlorophenyl)sulfinyl-4-keto-1-methyl-6-(morpholinomethyl)cinnoline-3-carboxamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C(C=C2)CN3CCOCC3)S(=O)C4=CC=C(C=C4)Cl)C(=O)C(=N1)C(=O)N

Isomeric SMILES

CN1C2=C(C(=C(C=C2)CN3CCOCC3)S(=O)C4=CC=C(C=C4)Cl)C(=O)C(=N1)C(=O)N

InChI

InChI=1S/C21H21ClN4O4S/c1-25-16-7-2-13(12-26-8-10-30-11-9-26)20(17(16)19(27)18(24-25)21(23)28)31(29)15-5-3-14(22)4-6-15/h2-7H,8-12H2,1H3,(H2,23,28)