3-[[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoyl]amino]propionic acid Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S/c1-11-2-7-14(10-15(11)20(24)25)28(26,27)19-13-5-3-12(4-6-13)17(23)18-9-8-16(21)22/h2-7,10,19H,8-9H2,1H3,(H,18,23)(H,21,22)