2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-nitrobenzyl)amino]propionic acid Formula: C17H18N2O8S MolecularWeight: 410.39842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2[N+](=O)[O-])C(CO)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2[N+](=O)[O-])C(CO)C(=O)O

InChI

InChI=1S/C17H18N2O8S/c1-27-13-6-8-14(9-7-13)28(25,26)18(16(11-20)17(21)22)10-12-4-2-3-5-15(12)19(23)24/h2-9,16,20H,10-11H2,1H3,(H,21,22)