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

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]ethanone IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]ethanone Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C)C)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C(=NN1C(=O)C)C)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H19N3O3S/c1-11-16(12(2)19(17-11)13(3)20)23(21,22)18-9-8-14-6-4-5-7-15(14)10-18/h4-7H,8-10H2,1-3H3