2-(4-methylphenyl)sulfonyl-N'-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N'-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Openeye Name: 2-(p-tolylsulfonyl)-N'-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide CAS Name: 2-(4-methylphenyl)sulfonyl-N'-(2-pyrimidinyl)-3,4-dihydro-1H-isoquinoline-3-carbohydrazide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N'-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Traditional Name: N'-(2-pyrimidyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NNC4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NNC4=NC=CC=N4

InChI

InChI=1S/C21H21N5O3S/c1-15-7-9-18(10-8-15)30(28,29)26-14-17-6-3-2-5-16(17)13-19(26)20(27)24-25-21-22-11-4-12-23-21/h2-12,19H,13-14H2,1H3,(H,24,27)(H,22,23,25)