2-[4-(4-chloranyl-3-fluoranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(4-chloranyl-3-fluoranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-6-methoxy-quinoline-3-carbonitrile Openeye Name: 2-[4-(4-chloro-3-fluoro-phenyl)sulfonyl-1,4-diazepan-1-yl]-6-methoxy-quinoline-3-carbonitrile CAS Name: 2-[4-(4-chloro-3-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 2-[4-(4-chloro-3-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6-methoxyquinoline-3-carbonitrile Traditional Name: 2-[4-(4-chloro-3-fluoro-phenyl)sulfonyl-1,4-diazepan-1-yl]-6-methoxy-quinoline-3-carbonitrile Formula: C22H20ClFN4O3S MolecularWeight: 474.935603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)F

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)F

InChI

InChI=1S/C22H20ClFN4O3S/c1-31-17-3-6-21-15(12-17)11-16(14-25)22(26-21)27-7-2-8-28(10-9-27)32(29,30)18-4-5-19(23)20(24)13-18/h3-6,11-13H,2,7-10H2,1H3