4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-isopropyl-benzenesulfonamide CAS Name: 4-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-isopropyl-benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-19(2)24-30(28,29)22-11-8-20(9-12-22)10-13-23(27)26-16-14-25(15-17-26)18-21-6-4-3-5-7-21/h3-9,11-12,19,24H,10,13-18H2,1-2H3/p+1