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

Systemtic Name: ethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-2-22-15(19)13-9-16-17-14(13)23(20,21)18-8-7-11-5-3-4-6-12(11)10-18/h3-6,9H,2,7-8,10H2,1H3,(H,16,17)