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

Systemtic Name: 2-[[2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C23H21ClN4O4S MolecularWeight: 484.95524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O)Cl)C

InChI

InChI=1S/C23H21ClN4O4S/c1-14-20(21(24)26(2)25-14)33(31,32)28-12-11-15-7-3-4-8-16(15)19(28)13-27-22(29)17-9-5-6-10-18(17)23(27)30/h3-10,19H,11-13H2,1-2H3