3-[[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]-2,6-dinitro-phenyl]amino]benzoic acid

Systemtic Name: 3-[[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]-2,6-dinitro-phenyl]amino]benzoic acid Openeye Name: 3-[4-[(4-morpholinosulfonylphenyl)carbamoyl]-2,6-dinitro-anilino]benzoic acid CAS Name: 3-[4-[[4-(4-morpholinylsulfonyl)anilino]-oxomethyl]-2,6-dinitroanilino]benzoic acid IUPAC Name: 3-[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]-2,6-dinitroanilino]benzoic acid Traditional Name: 3-[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=CC(=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=CC(=C4)C(=O)O)[N+](=O)[O-]

InChI

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