ethyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCC(=O)N2CCC3=CC=CC=C3C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCC(=O)N2CCC3=CC=CC=C3C2)C)C

InChI

InChI=1S/C20H25N3O5S/c1-4-28-20(25)18-13(2)22-14(3)19(18)29(26,27)21-11-17(24)23-10-9-15-7-5-6-8-16(15)12-23/h5-8,21-22H,4,9-12H2,1-3H3