N-(4-bromophenyl)-N-methyl-4-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-quinoline-6-sulfonamide

Systemtic Name: N-(4-bromophenyl)-N-methyl-4-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-quinoline-6-sulfonamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(4-bromophenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide CAS Name: N-(4-bromophenyl)-N-methyl-4-oxo-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-quinoline-6-sulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(4-bromophenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(4-bromophenyl)-4-keto-N-methyl-1H-quinoline-6-sulfonamide Formula: C28H28BrN4O4S+ MolecularWeight: 596.51532

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)N4CC[NH+](CC4)CC5=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)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27BrN4O4S/c1-31(22-9-7-21(29)8-10-22)38(36,37)23-11-12-26-24(17-23)27(34)25(18-30-26)28(35)33-15-13-32(14-16-33)19-20-5-3-2-4-6-20/h2-12,17-18H,13-16,19H2,1H3,(H,30,34)/p+1