3-[[4-[(2-cyclopropylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[(2-cyclopropylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[(2-cyclopropylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[(2-cyclopropylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-5-methyl-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[(2-cyclopropylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[(2-cyclopropylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C23H26N6O4S2 MolecularWeight: 514.62034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC3=C(CN(CC3)S(=O)(=O)C4CC4)C=C2)NC5=CC(=CC=C5)S(=O)(=O)N

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC3=C(CN(CC3)S(=O)(=O)C4CC4)C=C2)NC5=CC(=CC=C5)S(=O)(=O)N

InChI

InChI=1S/C23H26N6O4S2/c1-15-13-25-23(27-18-3-2-4-21(12-18)34(24,30)31)28-22(15)26-19-6-5-17-14-29(10-9-16(17)11-19)35(32,33)20-7-8-20/h2-6,11-13,20H,7-10,14H2,1H3,(H2,24,30,31)(H2,25,26,27,28)