diethyl-[3-[[5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-yl]carbonylamino]propyl]azanium

Systemtic Name: diethyl-[3-[[5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-yl]carbonylamino]propyl]azanium Openeye Name: diethyl-[3-[[5-(m-tolylmethylsulfonylmethyl)furan-2-carbonyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[[5-[(3-methylphenyl)methylsulfonylmethyl]-2-furanyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carbonyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[5-[(3-methylbenzyl)sulfonylmethyl]-2-furoyl]amino]propyl]ammonium Formula: C21H31N2O4S+ MolecularWeight: 407.54684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4S/c1-4-23(5-2)13-7-12-22-21(24)20-11-10-19(27-20)16-28(25,26)15-18-9-6-8-17(3)14-18/h6,8-11,14H,4-5,7,12-13,15-16H2,1-3H3,(H,22,24)/p+1