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

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-3-(4-methylphenyl)sulfonyl-quinoline Openeye Name: 4-(4-ethylpiperazin-1-yl)-3-(p-tolylsulfonyl)quinoline CAS Name: 4-(4-ethyl-1-piperazinyl)-3-(4-methylphenyl)sulfonylquinoline IUPAC Name: 4-(4-ethylpiperazin-1-yl)-3-(4-methylphenyl)sulfonylquinoline Traditional Name: 4-(4-ethylpiperazino)-3-tosyl-quinoline Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H25N3O2S/c1-3-24-12-14-25(15-13-24)22-19-6-4-5-7-20(19)23-16-21(22)28(26,27)18-10-8-17(2)9-11-18/h4-11,16H,3,12-15H2,1-2H3