ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C18H22N2O4S/c1-4-24-18(21)16-12(2)17(13(3)19-16)25(22,23)20-10-9-14-7-5-6-8-15(14)11-20/h5-8,19H,4,9-11H2,1-3H3