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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C20H18BrN3O6S MolecularWeight: 508.34242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O6S/c21-17-5-4-15(11-18(17)31(27,28)24-6-8-29-9-7-24)20(26)30-13-19(25)23-16-3-1-2-14(10-16)12-22/h1-5,10-11H,6-9,13H2,(H,23,25)