N,4-dimethyl-3-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N,4-dimethyl-3-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: N,4-dimethyl-3-(4-phenethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N,4-dimethyl-3-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]benzenesulfonamide IUPAC Name: N,4-dimethyl-3-(4-phenethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N,4-dimethyl-3-(4-phenethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-17-8-9-19(28(26,27)22-2)16-20(17)21(25)24-14-12-23(13-15-24)11-10-18-6-4-3-5-7-18/h3-9,16,22H,10-15H2,1-2H3/p+1