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

Systemtic Name: 3-[[4-[(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonylamino]phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[4-[(4-morpholino-3,5-dinitro-benzoyl)amino]phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[4-[[[4-(4-morpholinyl)-3,5-dinitrophenyl]-oxomethyl]amino]phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[4-[(4-morpholin-4-yl-3,5-dinitrobenzoyl)amino]phenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[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=CC(=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=CC(=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)27-8-10-39-11-9-27)25-17-4-6-19(7-5-17)40(37,38)26-18-3-1-2-15(12-18)24(31)32/h1-7,12-14,26H,8-11H2,(H,25,30)(H,31,32)