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2-[(4-methylphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid
2-[(4-methylphenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2[N+](=O)[O-])C(C)C(=O)O
Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2[N+](=O)[O-])C(C)C(=O)O
InChI
InChI=1S/C17H18N2O6S/c1-12-7-9-15(10-8-12)26(24,25)18(13(2)17(20)21)11-14-5-3-4-6-16(14)19(22)23/h3-10,13H,11H2,1-2H3,(H,20,21)
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