3-[[4-[[3-[(cyclopropylsulfonylamino)methyl]phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[[3-[(cyclopropylsulfonylamino)methyl]phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[3-[(cyclopropylsulfonylamino)methyl]anilino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[3-[(cyclopropylsulfonylamino)methyl]anilino]-5-methyl-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[3-[(cyclopropylsulfonylamino)methyl]anilino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[3-[(cyclopropylsulfonylamino)methyl]anilino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H24N6O4S2 MolecularWeight: 488.58306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC=CC(=C2)CNS(=O)(=O)C3CC3)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC=CC(=C2)CNS(=O)(=O)C3CC3)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C21H24N6O4S2/c1-14-12-23-21(26-17-6-3-7-19(11-17)32(22,28)29)27-20(14)25-16-5-2-4-15(10-16)13-24-33(30,31)18-8-9-18/h2-7,10-12,18,24H,8-9,13H2,1H3,(H2,22,28,29)(H2,23,25,26,27)