furan-2-ylmethyl-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-furylmethyl)-[2-(4-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: 2-furanylmethyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(furan-2-ylmethyl)-[2-(4-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: benzyl-(2-furfuryl)-[2-keto-2-(4-mesylanilino)ethyl]ammonium Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C21H22N2O4S/c1-28(25,26)20-11-9-18(10-12-20)22-21(24)16-23(15-19-8-5-13-27-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3,(H,22,24)/p+1