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

Systemtic Name: methyl 2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoate CAS Name: 3-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoate Traditional Name: 3-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-nitrobenzyl)amino]propionic acid methyl ester Formula: C18H20N2O8S MolecularWeight: 424.425

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O8S/c1-27-14-7-9-15(10-8-14)29(25,26)19(17(12-21)18(22)28-2)11-13-5-3-4-6-16(13)20(23)24/h3-10,17,21H,11-12H2,1-2H3