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

Systemtic Name: 8-ethoxy-5-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-quinoline Openeye Name: 5-(4-benzylpiperazin-1-yl)sulfonyl-8-ethoxy-quinoline CAS Name: 8-ethoxy-5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 5-(4-benzylpiperazin-1-yl)sulfonyl-8-ethoxyquinoline Traditional Name: 5-(4-benzylpiperazino)sulfonyl-8-ethoxy-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)CC4=CC=CC=C4)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)C=CC=N2

InChI

InChI=1S/C22H25N3O3S/c1-2-28-20-10-11-21(19-9-6-12-23-22(19)20)29(26,27)25-15-13-24(14-16-25)17-18-7-4-3-5-8-18/h3-12H,2,13-17H2,1H3