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

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-7-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-7-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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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=C(C=C4)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2S/c1-16-3-4-17-14-18(15-24)22(25-21(17)13-16)26-9-2-10-27(12-11-26)30(28,29)20-7-5-19(23)6-8-20/h3-8,13-14H,2,9-12H2,1H3