(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(2-chloranyl-5-nitro-phenyl)propanoic acid

Systemtic Name: (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(2-chloranyl-5-nitro-phenyl)propanoic acid Openeye Name: (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(2-chloro-5-nitro-phenyl)propanoic acid CAS Name: (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(2-chloro-5-nitrophenyl)propanoic acid IUPAC Name: (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(2-chloro-5-nitrophenyl)propanoic acid Traditional Name: (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(2-chloro-5-nitro-phenyl)propionic acid Formula: C17H16ClN3O7S MolecularWeight: 441.84284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN3O7S/c1-10(22)19-11-2-5-13(6-3-11)29(27,28)20-16(9-17(23)24)14-8-12(21(25)26)4-7-15(14)18/h2-8,16,20H,9H2,1H3,(H,19,22)(H,23,24)/t16-/m1/s1