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

Systemtic Name: ethyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCCCN2CCC3=CC=CC=C3C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCCCN2CCC3=CC=CC=C3C2)C)C

InChI

InChI=1S/C21H29N3O4S/c1-4-28-21(25)19-15(2)23-16(3)20(19)29(26,27)22-11-7-12-24-13-10-17-8-5-6-9-18(17)14-24/h5-6,8-9,22-23H,4,7,10-14H2,1-3H3