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

Systemtic Name: 4-[(4-bromanyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(4-bromo-3-morpholinosulfonyl-benzoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[[4-bromo-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(4-bromo-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(4-bromo-3-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=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

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

InChI

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