8-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 8-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-quinoline Openeye Name: 8-methyl-5-[4-(p-tolylsulfonyl)piperazin-1-yl]sulfonyl-quinoline CAS Name: 8-methyl-5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylquinoline Traditional Name: 8-methyl-5-(4-tosylpiperazino)sulfonyl-quinoline Formula: C21H23N3O4S2 MolecularWeight: 445.55502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C4C=CC=NC4=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C4C=CC=NC4=C(C=C3)C

InChI

InChI=1S/C21H23N3O4S2/c1-16-5-8-18(9-6-16)29(25,26)23-12-14-24(15-13-23)30(27,28)20-10-7-17(2)21-19(20)4-3-11-22-21/h3-11H,12-15H2,1-2H3