4-[(2-bromanyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(2-bromanyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(2-bromo-5-morpholinosulfonyl-benzoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[[2-bromo-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(2-bromo-5-morpholinosulfonyl-benzoyl)amino]-3-methyl-benzoic acid Formula: C19H19BrN2O6S MolecularWeight: 483.33296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Br

InChI

InChI=1S/C19H19BrN2O6S/c1-12-10-13(19(24)25)2-5-17(12)21-18(23)15-11-14(3-4-16(15)20)29(26,27)22-6-8-28-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23)(H,24,25)