2-[(2-bromanyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[(2-bromanyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[(2-bromo-5-morpholinosulfonyl-benzoyl)amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[[2-bromo-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[(2-bromo-5-morpholinosulfonyl-benzoyl)amino]-4,5-dimethoxy-benzoic acid Formula: C20H21BrN2O8S MolecularWeight: 529.35834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Br)OC

InChI

InChI=1S/C20H21BrN2O8S/c1-29-17-10-14(20(25)26)16(11-18(17)30-2)22-19(24)13-9-12(3-4-15(13)21)32(27,28)23-5-7-31-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,22,24)(H,25,26)