4-[[4-[(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonylamino]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-[(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonylamino]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[(4-morpholino-3,5-dinitro-benzoyl)amino]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[[[4-(4-morpholinyl)-3,5-dinitrophenyl]-oxomethyl]amino]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-[(4-morpholin-4-yl-3,5-dinitrobenzoyl)amino]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[(4-morpholino-3,5-dinitro-benzoyl)amino]phenyl]sulfonylamino]benzoic acid Formula: C24H21N5O10S MolecularWeight: 571.51604

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O10S/c30-23(16-13-20(28(33)34)22(21(14-16)29(35)36)27-9-11-39-12-10-27)25-17-5-7-19(8-6-17)40(37,38)26-18-3-1-15(2-4-18)24(31)32/h1-8,13-14,26H,9-12H2,(H,25,30)(H,31,32)