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

Systemtic Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,3,5-trimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,3,5-trimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,3,5-trimethylpyrrole-2-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)S(=O)(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)S(=O)(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C19H24N2O4S/c1-5-25-19(22)17-13(2)18(14(3)20(17)4)26(23,24)21-11-10-15-8-6-7-9-16(15)12-21/h6-9H,5,10-12H2,1-4H3