2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-8-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H21FN4O2S/c1-16-6-4-7-17-14-18(15-24)22(25-21(16)17)26-10-5-11-27(13-12-26)30(28,29)20-9-3-2-8-19(20)23/h2-4,6-9,14H,5,10-13H2,1H3