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

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-2-phenoxyethanone IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-phenoxy-ethanone Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-16-22(30(27,28)24-13-12-18-8-6-7-9-19(18)14-24)17(2)25(23-16)21(26)15-29-20-10-4-3-5-11-20/h3-11H,12-15H2,1-2H3