4-[[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]-2,6-dinitro-phenyl]amino]benzoic acid

Systemtic Name: 4-[[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]-2,6-dinitro-phenyl]amino]benzoic acid Openeye Name: 4-[4-[(4-morpholinosulfonylphenyl)carbamoyl]-2,6-dinitro-anilino]benzoic acid CAS Name: 4-[4-[[4-(4-morpholinylsulfonyl)anilino]-oxomethyl]-2,6-dinitroanilino]benzoic acid IUPAC Name: 4-[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]-2,6-dinitroanilino]benzoic acid Traditional Name: 4-[4-[(4-morpholinosulfonylphenyl)carbamoyl]-2,6-dinitro-anilino]benzoic acid Formula: C24H21N5O10S MolecularWeight: 571.51604

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

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