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

Systemtic Name: butyl-[2-[[5-[(4-chlorophenyl)methylsulfonylmethyl]furan-2-yl]carbonylamino]ethyl]-methyl-azanium Openeye Name: butyl-[2-[[5-[(4-chlorophenyl)methylsulfonylmethyl]furan-2-carbonyl]amino]ethyl]-methyl-ammonium CAS Name: butyl-[2-[[[5-[(4-chlorophenyl)methylsulfonylmethyl]-2-furanyl]-oxomethyl]amino]ethyl]-methylammonium IUPAC Name: butyl-[2-[[5-[(4-chlorophenyl)methylsulfonylmethyl]furan-2-carbonyl]amino]ethyl]-methylazanium Traditional Name: butyl-[2-[[5-[(4-chlorobenzyl)sulfonylmethyl]-2-furoyl]amino]ethyl]-methyl-ammonium Formula: C20H28ClN2O4S+ MolecularWeight: 427.96532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O4S/c1-3-4-12-23(2)13-11-22-20(24)19-10-9-18(27-19)15-28(25,26)14-16-5-7-17(21)8-6-16/h5-10H,3-4,11-15H2,1-2H3,(H,22,24)/p+1