6-(morpholin-4-ylmethyl)-4-oxidanylidene-5-(3-oxidanylpropylsulfonyl)-1-propyl-cinnoline-3-carboxamide

Systemtic Name: 6-(morpholin-4-ylmethyl)-4-oxidanylidene-5-(3-oxidanylpropylsulfonyl)-1-propyl-cinnoline-3-carboxamide Openeye Name: 5-(3-hydroxypropylsulfonyl)-6-(morpholinomethyl)-4-oxo-1-propyl-cinnoline-3-carboxamide CAS Name: 5-(3-hydroxypropylsulfonyl)-6-(4-morpholinylmethyl)-4-oxo-1-propyl-3-cinnolinecarboxamide IUPAC Name: 5-(3-hydroxypropylsulfonyl)-6-(morpholin-4-ylmethyl)-4-oxo-1-propylcinnoline-3-carboxamide Traditional Name: 5-(3-hydroxypropylsulfonyl)-4-keto-6-(morpholinomethyl)-1-propyl-cinnoline-3-carboxamide Formula: C20H28N4O6S MolecularWeight: 452.52452

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=C(C=C2)CN3CCOCC3)S(=O)(=O)CCCO)C(=O)C(=N1)C(=O)N

Isomeric SMILES

CCCN1C2=C(C(=C(C=C2)CN3CCOCC3)S(=O)(=O)CCCO)C(=O)C(=N1)C(=O)N

InChI

InChI=1S/C20H28N4O6S/c1-2-6-24-15-5-4-14(13-23-7-10-30-11-8-23)19(31(28,29)12-3-9-25)16(15)18(26)17(22-24)20(21)27/h4-5,25H,2-3,6-13H2,1H3,(H2,21,27)