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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S2/c27-23(18-24(16-21-8-4-14-30-21)17-22-9-5-15-31-22)25-10-12-26(13-11-25)32(28,29)19-20-6-2-1-3-7-20/h1-9,14-15H,10-13,16-19H2/p+1