[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C20H20BrN3O7S MolecularWeight: 526.3577

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)Br

InChI

InChI=1S/C20H20BrN3O7S/c21-16-6-3-14(11-17(16)32(28,29)24-7-9-30-10-8-24)20(27)31-12-18(25)23-15-4-1-13(2-5-15)19(22)26/h1-6,11H,7-10,12H2,(H2,22,26)(H,23,25)