N-methyl-N-phenyl-3-[[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-methyl-N-phenyl-3-[[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]carbamoyl]benzenesulfonamide Openeye Name: N-methyl-N-phenyl-3-[[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]carbamoyl]benzenesulfonamide CAS Name: N-methyl-3-[oxo-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]hydrazo]methyl]-N-phenylbenzenesulfonamide IUPAC Name: N-methyl-N-phenyl-3-[[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]carbamoyl]benzenesulfonamide Traditional Name: N-methyl-N-phenyl-3-[[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]carbamoyl]benzenesulfonamide Formula: C27H32N5O4S+ MolecularWeight: 522.63908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O4S/c1-30(23-10-4-2-5-11-23)37(35,36)25-14-8-9-22(21-25)27(34)29-28-26(33)15-16-31-17-19-32(20-18-31)24-12-6-3-7-13-24/h2-14,21H,15-20H2,1H3,(H,28,33)(H,29,34)/p+1