2-(1-methylbenzimidazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1-methylbenzimidazol-2-yl)-3-(4-morpholinosulfonylphenyl)-3-oxo-propanenitrile CAS Name: 2-(1-methyl-2-benzimidazolyl)-3-[4-(4-morpholinylsulfonyl)phenyl]-3-oxopropanenitrile IUPAC Name: 2-(1-methylbenzimidazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanenitrile Traditional Name: 3-keto-2-(1-methylbenzimidazol-2-yl)-3-(4-morpholinosulfonylphenyl)propionitrile Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H20N4O4S/c1-24-19-5-3-2-4-18(19)23-21(24)17(14-22)20(26)15-6-8-16(9-7-15)30(27,28)25-10-12-29-13-11-25/h2-9,17H,10-13H2,1H3