[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H20BrClN2O6S MolecularWeight: 531.8046

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3Cl)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3Cl)Br

InChI

InChI=1S/C20H20BrClN2O6S/c21-16-6-5-14(11-18(16)31(27,28)24-7-9-29-10-8-24)20(26)30-13-19(25)23-12-15-3-1-2-4-17(15)22/h1-6,11H,7-10,12-13H2,(H,23,25)