N-[[(1S)-2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide

Systemtic Name: N-[[(1S)-2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide Openeye Name: N-[[(1S)-2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide CAS Name: N-[[(1S)-2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide IUPAC Name: N-[[(1S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide Traditional Name: N-[[(1S)-2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide Formula: C22H29ClN4O3S MolecularWeight: 465.00866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N2CCC3=CC=CC=C3C2CNC(=O)C4CCCCC4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N2CCC3=CC=CC=C3[C@H]2CNC(=O)C4CCCCC4)Cl)C

InChI

InChI=1S/C22H29ClN4O3S/c1-15-20(21(23)26(2)25-15)31(29,30)27-13-12-16-8-6-7-11-18(16)19(27)14-24-22(28)17-9-4-3-5-10-17/h6-8,11,17,19H,3-5,9-10,12-14H2,1-2H3,(H,24,28)/t19-/m1/s1