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

Systemtic Name: 2-[(4-ethanoylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 2-[(4-acetylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[(4-acetylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[(4-acetylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[(4-acetylphenyl)sulfonyl-(4-nitrobenzyl)amino]propionic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-12(18(22)23)19(11-14-3-7-16(8-4-14)20(24)25)28(26,27)17-9-5-15(6-10-17)13(2)21/h3-10,12H,11H2,1-2H3,(H,22,23)