7-methyl-2-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile

Systemtic Name: 7-methyl-2-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Openeye Name: 2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-7-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-7-methylquinoline-3-carbonitrile Traditional Name: 2-(4-besyl-1,4-diazepan-1-yl)-7-methyl-quinoline-3-carbonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H22N4O2S/c1-17-8-9-18-15-19(16-23)22(24-21(18)14-17)25-10-5-11-26(13-12-25)29(27,28)20-6-3-2-4-7-20/h2-4,6-9,14-15H,5,10-13H2,1H3