methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C15H16N2O4S/c1-21-15(18)14-8-13(9-16-14)22(19,20)17-7-6-11-4-2-3-5-12(11)10-17/h2-5,8-9,16H,6-7,10H2,1H3