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

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]-2-(2-methylsulfonylphenyl)benzamide; methanesulfonic acid Openeye Name: N-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazol-3-yl]-2-(2-methylsulfonylphenyl)benzamide; methanesulfonic acid CAS Name: N-[2-(1-amino-7-isoquinolinyl)-5-methyl-3-pyrazolyl]-2-(2-methylsulfonylphenyl)benzamide; methanesulfonic acid IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-(2-methylsulfonylphenyl)benzamide; methanesulfonic acid Traditional Name: N-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazol-3-yl]-2-(2-mesylphenyl)benzamide; mesylic acid Formula: C28H27N5O6S2 MolecularWeight: 593.67388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)C)C4=CC5=C(C=C4)C=CN=C5N.CS(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)C)C4=CC5=C(C=C4)C=CN=C5N.CS(=O)(=O)O

InChI

InChI=1S/C27H23N5O3S.CH4O3S/c1-17-15-25(32(31-17)19-12-11-18-13-14-29-26(28)23(18)16-19)30-27(33)22-9-4-3-7-20(22)21-8-5-6-10-24(21)36(2,34)35;1-5(2,3)4/h3-16H,1-2H3,(H2,28,29)(H,30,33);1H3,(H,2,3,4)