2-[[4-[bis(2-methoxyethyl)sulfamoyl]phenyl]carbonylamino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[[4-[bis(2-methoxyethyl)sulfamoyl]phenyl]carbonylamino]-5-bromanyl-benzoic acid Openeye Name: 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-5-bromo-benzoic acid CAS Name: 2-[[[4-[bis(2-methoxyethyl)sulfamoyl]phenyl]-oxomethyl]amino]-5-bromobenzoic acid IUPAC Name: 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-5-bromobenzoic acid Traditional Name: 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-5-bromo-benzoic acid Formula: C20H23BrN2O7S MolecularWeight: 515.37482

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C20H23BrN2O7S/c1-29-11-9-23(10-12-30-2)31(27,28)16-6-3-14(4-7-16)19(24)22-18-8-5-15(21)13-17(18)20(25)26/h3-8,13H,9-12H2,1-2H3,(H,22,24)(H,25,26)