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

Systemtic Name: 3-[2-(aminomethyl)-4-(4-chloranyl-2-methyl-phenyl)-3-(4-methylsulfonylphenyl)-5-oxidanylidene-furan-2-yl]propanoic acid Openeye Name: 3-[2-(aminomethyl)-4-(4-chloro-2-methyl-phenyl)-3-(4-methylsulfonylphenyl)-5-oxo-2-furyl]propanoic acid CAS Name: 3-[2-(aminomethyl)-4-(4-chloro-2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-oxo-2-furanyl]propanoic acid IUPAC Name: 3-[2-(aminomethyl)-4-(4-chloro-2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-oxofuran-2-yl]propanoic acid Traditional Name: 3-[2-(aminomethyl)-4-(4-chloro-2-methyl-phenyl)-5-keto-3-(4-mesylphenyl)-2-furyl]propionic acid Formula: C22H22ClNO6S MolecularWeight: 463.93118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C2=C(C(OC2=O)(CCC(=O)O)CN)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C2=C(C(OC2=O)(CCC(=O)O)CN)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H22ClNO6S/c1-13-11-15(23)5-8-17(13)19-20(14-3-6-16(7-4-14)31(2,28)29)22(12-24,30-21(19)27)10-9-18(25)26/h3-8,11H,9-10,12,24H2,1-2H3,(H,25,26)