1-(4-methoxy-2-methyl-phenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(4-methoxy-2-methyl-phenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; 4-methylbenzenesulfonic acid Openeye Name: 1-(4-methoxy-2-methyl-phenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; 4-methylbenzenesulfonic acid CAS Name: 1-(4-methoxy-2-methylphenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; 4-methylbenzenesulfonic acid IUPAC Name: 1-(4-methoxy-2-methylphenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; 4-methylbenzenesulfonic acid Traditional Name: 1-(4-methoxy-2-methyl-phenyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; tosylic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=O)C2=C(N1)N(CC2)C3=C(C=C(C=C3)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=O)C2=C(N1)N(CC2)C3=C(C=C(C=C3)OC)C

InChI

InChI=1S/C16H18N2O2.C7H8O3S/c1-10-8-12(20-3)4-5-14(10)18-7-6-13-15(19)9-11(2)17-16(13)18;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,8-9H,6-7H2,1-3H3,(H,17,19);2-5H,1H3,(H,8,9,10)