2-[[5-[(4-chlorophenyl)methylsulfonylmethyl]furan-2-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[[5-[(4-chlorophenyl)methylsulfonylmethyl]furan-2-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[5-[(4-chlorophenyl)methylsulfonylmethyl]furan-2-carbonyl]amino]ethyl]-methyl-ammonium CAS Name: 2-[[[5-[(4-chlorophenyl)methylsulfonylmethyl]-2-furanyl]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[5-[(4-chlorophenyl)methylsulfonylmethyl]furan-2-carbonyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[5-[(4-chlorobenzyl)sulfonylmethyl]-2-furoyl]amino]ethyl]-methyl-ammonium Formula: C23H26ClN2O4S+ MolecularWeight: 461.98154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O4S/c1-26(15-18-5-3-2-4-6-18)14-13-25-23(27)22-12-11-21(30-22)17-31(28,29)16-19-7-9-20(24)10-8-19/h2-12H,13-17H2,1H3,(H,25,27)/p+1