2-[(4-chlorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]propanoic acid

Systemtic Name: 2-[(4-chlorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 2-[(4-chlorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[[[(4-chlorophenyl)sulfonylamino]-oxomethyl]-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[(4-chlorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[(4-chlorophenyl)sulfonylcarbamoyl-(4-nitrobenzyl)amino]propionic acid Formula: C17H16ClN3O7S MolecularWeight: 441.84284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O7S/c1-11(16(22)23)20(10-12-2-6-14(7-3-12)21(25)26)17(24)19-29(27,28)15-8-4-13(18)5-9-15/h2-9,11H,10H2,1H3,(H,19,24)(H,22,23)