8-ethoxy-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 8-ethoxy-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-quinoline Openeye Name: 8-ethoxy-5-[4-(m-tolyl)piperazin-1-yl]sulfonyl-quinoline CAS Name: 8-ethoxy-5-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-ethoxy-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoline Traditional Name: 8-ethoxy-5-[4-(m-tolyl)piperazino]sulfonyl-quinoline Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C)C=CC=N2

InChI

InChI=1S/C22H25N3O3S/c1-3-28-20-9-10-21(19-8-5-11-23-22(19)20)29(26,27)25-14-12-24(13-15-25)18-7-4-6-17(2)16-18/h4-11,16H,3,12-15H2,1-2H3