4-(6-chloranyl-3-thiomorpholin-4-ylcarbonyl-quinolin-4-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 4-(6-chloranyl-3-thiomorpholin-4-ylcarbonyl-quinolin-4-yl)sulfonylbenzenecarbonitrile Openeye Name: 4-[[6-chloro-3-(thiomorpholine-4-carbonyl)-4-quinolyl]sulfonyl]benzonitrile CAS Name: 4-[[6-chloro-3-[oxo(thiomorpholin-4-yl)methyl]-4-quinolinyl]sulfonyl]benzonitrile IUPAC Name: 4-[6-chloro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]sulfonylbenzonitrile Traditional Name: 4-[[6-chloro-3-(thiomorpholine-4-carbonyl)-4-quinolyl]sulfonyl]benzonitrile Formula: C21H16ClN3O3S2 MolecularWeight: 457.95304

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

C1CSCCN1C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C21H16ClN3O3S2/c22-15-3-6-19-17(11-15)20(30(27,28)16-4-1-14(12-23)2-5-16)18(13-24-19)21(26)25-7-9-29-10-8-25/h1-6,11,13H,7-10H2