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

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[(4-methoxyphenyl)sulfonyl-(2-nitrobenzyl)amino]propionic acid Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H18N2O7S/c1-12(17(20)21)18(11-13-5-3-4-6-16(13)19(22)23)27(24,25)15-9-7-14(26-2)8-10-15/h3-10,12H,11H2,1-2H3,(H,20,21)