2-[2-(aminomethyl)-3-(4-methylsulfonylphenyl)-5-oxidanylidene-4-phenyl-furan-2-yl]ethanoic acid

Systemtic Name: 2-[2-(aminomethyl)-3-(4-methylsulfonylphenyl)-5-oxidanylidene-4-phenyl-furan-2-yl]ethanoic acid Openeye Name: 2-[2-(aminomethyl)-3-(4-methylsulfonylphenyl)-5-oxo-4-phenyl-2-furyl]acetic acid CAS Name: 2-[2-(aminomethyl)-3-(4-methylsulfonylphenyl)-5-oxo-4-phenyl-2-furanyl]acetic acid IUPAC Name: 2-[2-(aminomethyl)-3-(4-methylsulfonylphenyl)-5-oxo-4-phenylfuran-2-yl]acetic acid Traditional Name: 2-[2-(aminomethyl)-5-keto-3-(4-mesylphenyl)-4-phenyl-2-furyl]acetic acid Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2(CC(=O)O)CN)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2(CC(=O)O)CN)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO6S/c1-28(25,26)15-9-7-14(8-10-15)18-17(13-5-3-2-4-6-13)19(24)27-20(18,12-21)11-16(22)23/h2-10H,11-12,21H2,1H3,(H,22,23)