3-[[5-[(3-chlorophenyl)methylsulfonylmethyl]furan-2-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[5-[(3-chlorophenyl)methylsulfonylmethyl]furan-2-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[5-[(3-chlorophenyl)methylsulfonylmethyl]furan-2-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[5-[(3-chlorophenyl)methylsulfonylmethyl]-2-furanyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[5-[(3-chlorophenyl)methylsulfonylmethyl]furan-2-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[5-[(3-chlorobenzyl)sulfonylmethyl]-2-furoyl]amino]propyl]-methyl-ammonium Formula: C24H28ClN2O4S+ MolecularWeight: 476.00812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC=C(O1)CS(=O)(=O)CC2=CC(=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC=C(O1)CS(=O)(=O)CC2=CC(=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C24H27ClN2O4S/c1-27(16-19-7-3-2-4-8-19)14-6-13-26-24(28)23-12-11-22(31-23)18-32(29,30)17-20-9-5-10-21(25)15-20/h2-5,7-12,15H,6,13-14,16-18H2,1H3,(H,26,28)/p+1