2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethyl-(furan-2-ylmethyl)azanium

Systemtic Name: 2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethyl-(furan-2-ylmethyl)azanium Openeye Name: 2-(3-acetyl-N-methylsulfonyl-anilino)ethyl-(2-furylmethyl)ammonium CAS Name: 2-(3-acetyl-N-methylsulfonylanilino)ethyl-(2-furanylmethyl)ammonium IUPAC Name: 2-(3-acetyl-N-methylsulfonylanilino)ethyl-(furan-2-ylmethyl)azanium Traditional Name: 2-(3-acetyl-N-mesyl-anilino)ethyl-(2-furfuryl)ammonium Formula: C16H21N2O4S+ MolecularWeight: 337.41394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(CC[NH2+]CC2=CC=CO2)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(CC[NH2+]CC2=CC=CO2)S(=O)(=O)C

InChI

InChI=1S/C16H20N2O4S/c1-13(19)14-5-3-6-15(11-14)18(23(2,20)21)9-8-17-12-16-7-4-10-22-16/h3-7,10-11,17H,8-9,12H2,1-2H3/p+1