N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C23H28N5O4S+ MolecularWeight: 470.56452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H27N5O4S/c1-17-21(23(30)28(26(17)3)19-9-5-4-6-10-19)24-33(31,32)20-11-7-8-18(16-20)22(29)27-14-12-25(2)13-15-27/h4-11,16,24H,12-15H2,1-3H3/p+1