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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethyl-pyrazole-3-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethyl-pyrazole-3-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethylpyrazole-3-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethyl-pyrazole-3-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN1C=CC(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N4O3S/c1-2-24-13-12-20(23-24)21(26)22-18-7-9-19(10-8-18)29(27,28)25-14-11-16-5-3-4-6-17(16)15-25/h3-10,12-13H,2,11,14-15H2,1H3,(H,22,26)