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

Systemtic Name: 2-[[5-[(4-chlorophenyl)methylsulfonylmethyl]furan-2-yl]carbonylamino]ethyl-methyl-phenethyl-azanium Openeye Name: 2-[[5-[(4-chlorophenyl)methylsulfonylmethyl]furan-2-carbonyl]amino]ethyl-methyl-phenethyl-ammonium CAS Name: 2-[[[5-[(4-chlorophenyl)methylsulfonylmethyl]-2-furanyl]-oxomethyl]amino]ethyl-methyl-phenethylammonium IUPAC Name: 2-[[5-[(4-chlorophenyl)methylsulfonylmethyl]furan-2-carbonyl]amino]ethyl-methyl-phenethylazanium Traditional Name: 2-[[5-[(4-chlorobenzyl)sulfonylmethyl]-2-furoyl]amino]ethyl-methyl-phenethyl-ammonium Formula: C24H28ClN2O4S+ MolecularWeight: 476.00812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)Cl

InChI

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