2-(4-tert-butylphenoxy)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone Openeye Name: 2-(4-tert-butylphenoxy)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]ethanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]ethanone Traditional Name: 2-(4-tert-butylphenoxy)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)C(C)(C)C)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)C(C)(C)C)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H31N3O4S/c1-18-25(34(31,32)28-15-14-20-8-6-7-9-21(20)16-28)19(2)29(27-18)24(30)17-33-23-12-10-22(11-13-23)26(3,4)5/h6-13H,14-17H2,1-5H3