4-(azepan-1-yl)-3-(4-methylphenyl)sulfonyl-quinoline

Systemtic Name: 4-(azepan-1-yl)-3-(4-methylphenyl)sulfonyl-quinoline Openeye Name: 4-(azepan-1-yl)-3-(p-tolylsulfonyl)quinoline CAS Name: 4-(1-azepanyl)-3-(4-methylphenyl)sulfonylquinoline IUPAC Name: 4-(azepan-1-yl)-3-(4-methylphenyl)sulfonylquinoline Traditional Name: 4-(azepan-1-yl)-3-tosyl-quinoline Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3N=C2)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3N=C2)N4CCCCCC4

InChI

InChI=1S/C22H24N2O2S/c1-17-10-12-18(13-11-17)27(25,26)21-16-23-20-9-5-4-8-19(20)22(21)24-14-6-2-3-7-15-24/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3