4-tert-butyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-tert-butyl-benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-tert-butyl-benzenesulfonamide Formula: C28H34N3O3S+ MolecularWeight: 492.65286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3S/c1-28(2,3)24-11-15-26(16-12-24)35(33,34)29-25-13-9-23(10-14-25)27(32)31-19-17-30(18-20-31)21-22-7-5-4-6-8-22/h4-16,29H,17-21H2,1-3H3/p+1