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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrrole-2-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C14H13N2O4S- MolecularWeight: 305.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CNC(=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CNC(=C3)C(=O)[O-]

InChI

InChI=1S/C14H14N2O4S/c17-14(18)13-7-12(8-15-13)21(19,20)16-6-5-10-3-1-2-4-11(10)9-16/h1-4,7-8,15H,5-6,9H2,(H,17,18)/p-1