N-(2-methoxyphenyl)-N,4-dimethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-N,4-dimethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(2-methoxyphenyl)-N,4-dimethyl-benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-N,4-dimethyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(2-methoxyphenyl)-N,4-dimethylbenzenesulfonamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(2-methoxyphenyl)-N,4-dimethyl-benzenesulfonamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-21-13-14-23(35(32,33)28(2)25-11-7-8-12-26(25)34-3)19-24(21)27(31)30-17-15-29(16-18-30)20-22-9-5-4-6-10-22/h4-14,19H,15-18,20H2,1-3H3/p+1