N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-methyl-pyrazole-3-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N4O3S/c1-23-19(10-12-21-23)20(25)22-17-6-8-18(9-7-17)28(26,27)24-13-11-15-4-2-3-5-16(15)14-24/h2-10,12H,11,13-14H2,1H3,(H,22,25)