methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-4-oxidanylidene-1-phenyl-quinoline-2-carboxylate

Systemtic Name: methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-4-oxidanylidene-1-phenyl-quinoline-2-carboxylate Openeye Name: methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-4-oxo-1-phenyl-quinoline-2-carboxylate CAS Name: 3-[[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]methyl]-4-oxo-1-phenyl-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-4-oxo-1-phenylquinoline-2-carboxylate Traditional Name: 4-keto-3-[4-(4-methylpiperazino)sulfonylbenzyl]-1-phenyl-quinaldic acid methyl ester Formula: C29H29N3O5S MolecularWeight: 531.62266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC3=C(N(C4=CC=CC=C4C3=O)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC3=C(N(C4=CC=CC=C4C3=O)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C29H29N3O5S/c1-30-16-18-31(19-17-30)38(35,36)23-14-12-21(13-15-23)20-25-27(29(34)37-2)32(22-8-4-3-5-9-22)26-11-7-6-10-24(26)28(25)33/h3-15H,16-20H2,1-2H3