ethyl 4-[(2-bromanyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(2-bromanyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 4-[(2-bromo-5-morpholinosulfonyl-benzoyl)amino]benzoate CAS Name: 4-[[[2-bromo-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(2-bromo-5-morpholinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O6S/c1-2-29-20(25)14-3-5-15(6-4-14)22-19(24)17-13-16(7-8-18(17)21)30(26,27)23-9-11-28-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,22,24)