[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 2,4-dichloro-5-morpholinosulfonyl-benzoate CAS Name: 2,4-dichloro-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2,4-dichloro-5-morpholinosulfonyl-benzoic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C19H17BrCl2N2O6S MolecularWeight: 552.22308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrCl2N2O6S/c20-12-1-3-13(4-2-12)23-18(25)11-30-19(26)14-9-17(16(22)10-15(14)21)31(27,28)24-5-7-29-8-6-24/h1-4,9-10H,5-8,11H2,(H,23,25)