N-[2-(dimethylamino)-5aH-cyclohepta[b][1]benzofuran-9-yl]quinoline-4-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[2-(dimethylamino)-5aH-cyclohepta[b][1]benzofuran-9-yl]quinoline-4-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: N-[2-(dimethylamino)-5aH-cyclohepta[b]benzofuran-9-yl]quinoline-4-carboxamide; 4-methylbenzenesulfonic acid CAS Name: N-[2-(dimethylamino)-5aH-cyclohepta[b]benzofuran-9-yl]-4-quinolinecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[2-(dimethylamino)-5aH-cyclohepta[b][1]benzofuran-9-yl]quinoline-4-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-[2-(dimethylamino)-5aH-cyclohepta[b]benzofuran-9-yl]cinchoninamide; tosylic acid Formula: C32H29N3O5S MolecularWeight: 567.65476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C1=CC2=C(C=C1)OC3C2=CC(=CC=C3)NC(=O)C4=CC=NC5=CC=CC=C45

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C1=CC2=C(C=C1)OC3C2=CC(=CC=C3)NC(=O)C4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C25H21N3O2.C7H8O3S/c1-28(2)17-10-11-24-21(15-17)20-14-16(6-5-9-23(20)30-24)27-25(29)19-12-13-26-22-8-4-3-7-18(19)22;1-6-2-4-7(5-3-6)11(8,9)10/h3-15,23H,1-2H3,(H,27,29);2-5H,1H3,(H,8,9,10)