4-(3-thiomorpholin-4-ylcarbonylquinolin-4-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 4-(3-thiomorpholin-4-ylcarbonylquinolin-4-yl)sulfonylbenzenecarbonitrile Openeye Name: 4-[[3-(thiomorpholine-4-carbonyl)-4-quinolyl]sulfonyl]benzonitrile CAS Name: 4-[[3-[oxo(thiomorpholin-4-yl)methyl]-4-quinolinyl]sulfonyl]benzonitrile IUPAC Name: 4-[3-(thiomorpholine-4-carbonyl)quinolin-4-yl]sulfonylbenzonitrile Traditional Name: 4-[[3-(thiomorpholine-4-carbonyl)-4-quinolyl]sulfonyl]benzonitrile Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=C(C3=CC=CC=C3N=C2)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CSCCN1C(=O)C2=C(C3=CC=CC=C3N=C2)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H17N3O3S2/c22-13-15-5-7-16(8-6-15)29(26,27)20-17-3-1-2-4-19(17)23-14-18(20)21(25)24-9-11-28-12-10-24/h1-8,14H,9-12H2