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

Systemtic Name: furan-2-ylmethyl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-(2-furylmethyl)ammonium CAS Name: 2-furanylmethyl-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)azanium Traditional Name: benzyl-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-(2-furfuryl)ammonium Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S/c29-25(20-26(19-24-12-7-17-32-24)18-22-8-3-1-4-9-22)27-13-15-28(16-14-27)33(30,31)21-23-10-5-2-6-11-23/h1-12,17H,13-16,18-21H2/p+1