furan-2-ylmethyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4-besylpiperazino)-2-keto-ethyl]-(2-furfuryl)-(2-thenyl)ammonium Formula: C22H26N3O4S2+ MolecularWeight: 460.58954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S2/c26-22(18-23(16-19-6-4-14-29-19)17-20-7-5-15-30-20)24-10-12-25(13-11-24)31(27,28)21-8-2-1-3-9-21/h1-9,14-15H,10-13,16-18H2/p+1