N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-ethyl-4-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-4-[oxo-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-ethyl-4-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C23H27N4O3S2+ MolecularWeight: 471.61548

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S2/c1-2-24-32(29,30)21-10-8-19(9-11-21)23(28)27-14-12-26(13-15-27)16-20-17-31-22(25-20)18-6-4-3-5-7-18/h3-11,17,24H,2,12-16H2,1H3/p+1