N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methyl-benzamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methyl-benzamide; 4-methylbenzenesulfonic acid Openeye Name: N-(2-indolin-1-ylpyrimidin-4-yl)-N-methyl-benzamide; 4-methylbenzenesulfonic acid CAS Name: N-[2-(2,3-dihydroindol-1-yl)-4-pyrimidinyl]-N-methylbenzamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide; 4-methylbenzenesulfonic acid Traditional Name: N-(2-indolin-1-ylpyrimidin-4-yl)-N-methyl-benzamide; tosylic acid Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C1=NC(=NC=C1)N2CCC3=CC=CC=C32)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C1=NC(=NC=C1)N2CCC3=CC=CC=C32)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O.C7H8O3S/c1-23(19(25)16-8-3-2-4-9-16)18-11-13-21-20(22-18)24-14-12-15-7-5-6-10-17(15)24;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13H,12,14H2,1H3;2-5H,1H3,(H,8,9,10)