N-[1-(4-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide

Systemtic Name: N-[1-(4-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide Openeye Name: N-[1-(4-amino-7-isoquinolyl)-5-methyl-pyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide CAS Name: N-[1-(4-amino-7-isoquinolinyl)-5-methyl-3-pyrazolyl]-4-(2-methylsulfonylphenyl)benzamide IUPAC Name: N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide Traditional Name: N-[1-(4-amino-7-isoquinolyl)-5-methyl-pyrazol-3-yl]-4-(2-mesylphenyl)benzamide Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC3=CN=CC(=C3C=C2)N)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC3=CN=CC(=C3C=C2)N)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)C

InChI

InChI=1S/C27H23N5O3S/c1-17-13-26(31-32(17)21-11-12-22-20(14-21)15-29-16-24(22)28)30-27(33)19-9-7-18(8-10-19)23-5-3-4-6-25(23)36(2,34)35/h3-16H,28H2,1-2H3,(H,30,31,33)