4-methylbenzenesulfonic acid; N-[8-(2-methylpropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-4-carboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-[8-(2-methylpropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-4-carboxamide Openeye Name: N-[8-(isobutylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-4-carboxamide; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N-[8-(2-methylpropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-quinolinecarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; N-[8-(2-methylpropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-4-carboxamide Traditional Name: N-[8-(isobutylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]cinchoninamide; tosylic acid Formula: C33H35N3O5S MolecularWeight: 585.7131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CNC1CCC2=C(C1)C3=C(O2)C=CC(=C3)NC(=O)C4=CC=NC5=CC=CC=C45

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CNC1CCC2=C(C1)C3=C(O2)C=CC(=C3)NC(=O)C4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C26H27N3O2.C7H8O3S/c1-16(2)15-28-17-7-9-24-21(13-17)22-14-18(8-10-25(22)31-24)29-26(30)20-11-12-27-23-6-4-3-5-19(20)23;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,8,10-12,14,16-17,28H,7,9,13,15H2,1-2H3,(H,29,30);2-5H,1H3,(H,8,9,10)