N-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxopropyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-oxopropyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-3-keto-propyl]-4-methyl-benzenesulfonamide Formula: C22H35N4O4S+ MolecularWeight: 451.6027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H34N4O4S/c1-19-6-8-20(9-7-19)31(29,30)23-11-10-21(27)26-16-14-24(15-17-26)18-22(28)25-12-4-2-3-5-13-25/h6-9,23H,2-5,10-18H2,1H3/p+1