4-(azepan-1-yl)-6-ethoxy-3-(4-methylphenyl)sulfonyl-quinoline

Systemtic Name: 4-(azepan-1-yl)-6-ethoxy-3-(4-methylphenyl)sulfonyl-quinoline Openeye Name: 4-(azepan-1-yl)-6-ethoxy-3-(p-tolylsulfonyl)quinoline CAS Name: 4-(1-azepanyl)-6-ethoxy-3-(4-methylphenyl)sulfonylquinoline IUPAC Name: 4-(azepan-1-yl)-6-ethoxy-3-(4-methylphenyl)sulfonylquinoline Traditional Name: 4-(azepan-1-yl)-6-ethoxy-3-tosyl-quinoline Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCCCCC4

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCCCCC4

InChI

InChI=1S/C24H28N2O3S/c1-3-29-19-10-13-22-21(16-19)24(26-14-6-4-5-7-15-26)23(17-25-22)30(27,28)20-11-8-18(2)9-12-20/h8-13,16-17H,3-7,14-15H2,1-2H3