6-ethoxy-4-(4-methylpiperazin-1-yl)-3-(phenylsulfonyl)quinoline

Systemtic Name: 6-ethoxy-4-(4-methylpiperazin-1-yl)-3-(phenylsulfonyl)quinoline Openeye Name: 3-(benzenesulfonyl)-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline CAS Name: 3-(benzenesulfonyl)-6-ethoxy-4-(4-methyl-1-piperazinyl)quinoline IUPAC Name: 3-(benzenesulfonyl)-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline Traditional Name: 3-besyl-6-ethoxy-4-(4-methylpiperazino)quinoline Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C

InChI

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