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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)ethanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCC3=CC=CC=C3C2)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCC3=CC=CC=C3C2)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H28N4O3S/c1-16-21(29(27,28)24-11-6-3-7-12-24)17(2)25(22-16)15-20(26)23-13-10-18-8-4-5-9-19(18)14-23/h4-5,8-9H,3,6-7,10-15H2,1-2H3