N-(4-bromophenyl)-N-methyl-4-oxidanylidene-3-(4-phenylpiperazin-1-yl)carbonyl-1H-quinoline-6-sulfonamide

Systemtic Name: N-(4-bromophenyl)-N-methyl-4-oxidanylidene-3-(4-phenylpiperazin-1-yl)carbonyl-1H-quinoline-6-sulfonamide Openeye Name: N-(4-bromophenyl)-N-methyl-4-oxo-3-(4-phenylpiperazine-1-carbonyl)-1H-quinoline-6-sulfonamide CAS Name: N-(4-bromophenyl)-N-methyl-4-oxo-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-1H-quinoline-6-sulfonamide IUPAC Name: N-(4-bromophenyl)-N-methyl-4-oxo-3-(4-phenylpiperazine-1-carbonyl)-1H-quinoline-6-sulfonamide Traditional Name: N-(4-bromophenyl)-4-keto-N-methyl-3-(4-phenylpiperazine-1-carbonyl)-1H-quinoline-6-sulfonamide Formula: C27H25BrN4O4S MolecularWeight: 581.4808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN(C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H25BrN4O4S/c1-30(20-9-7-19(28)8-10-20)37(35,36)22-11-12-25-23(17-22)26(33)24(18-29-25)27(34)32-15-13-31(14-16-32)21-5-3-2-4-6-21/h2-12,17-18H,13-16H2,1H3,(H,29,33)