ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: ethyl-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-(2-thienylmethyl)ammonium CAS Name: ethyl-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: ethyl-[2-keto-2-(4-tosylpiperazino)ethyl]-(2-thenyl)ammonium Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H27N3O3S2/c1-3-21(15-18-5-4-14-27-18)16-20(24)22-10-12-23(13-11-22)28(25,26)19-8-6-17(2)7-9-19/h4-9,14H,3,10-13,15-16H2,1-2H3/p+1