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

Systemtic Name: furan-2-ylmethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-furylmethyl-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-(2-thienylmethyl)ammonium CAS Name: 2-furanylmethyl-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: furan-2-ylmethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-furfuryl-[2-keto-2-(4-tosylpiperazino)ethyl]-(2-thenyl)ammonium Formula: C23H28N3O4S2+ MolecularWeight: 474.61612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](CC3=CC=CO3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](CC3=CC=CO3)CC4=CC=CS4

InChI

InChI=1S/C23H27N3O4S2/c1-19-6-8-22(9-7-19)32(28,29)26-12-10-25(11-13-26)23(27)18-24(16-20-4-2-14-30-20)17-21-5-3-15-31-21/h2-9,14-15H,10-13,16-18H2,1H3/p+1