phenacyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: phenacyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: phenacyl 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid phenacyl ester IUPAC Name: phenacyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid phenacyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O6S/c20-16(13-4-2-1-3-5-13)12-25-17(21)15-10-14(11-18-15)26(22,23)19-6-8-24-9-7-19/h1-5,10-11,18H,6-9,12H2