[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dichloro-5-morpholinosulfonyl-benzoate CAS Name: 2,4-dichloro-5-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2,4-dichloro-5-morpholinosulfonyl-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H16Cl2N2O6S MolecularWeight: 447.28974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)C3=CC=CN3)Cl)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)C3=CC=CN3)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O6S/c18-12-9-13(19)16(28(24,25)21-4-6-26-7-5-21)8-11(12)17(23)27-10-15(22)14-2-1-3-20-14/h1-3,8-9,20H,4-7,10H2