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

Systemtic Name: ethyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-methyl-sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-methyl-sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-5-29-21(26)19-14(2)22-15(3)20(19)30(27,28)23(4)13-18(25)24-11-10-16-8-6-7-9-17(16)12-24/h6-9,22H,5,10-13H2,1-4H3