4-methylbenzenesulfonic acid; N-methyl-4,5-dihydrobenzo[g][1,3]benzoxazol-2-amine

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-4,5-dihydrobenzo[g][1,3]benzoxazol-2-amine Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-4,5-dihydrobenzo[g][1,3]benzoxazol-2-amine CAS Name: 4-methylbenzenesulfonic acid; N-methyl-4,5-dihydrobenzo[g][1,3]benzoxazol-2-amine IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-4,5-dihydrobenzo[g][1,3]benzoxazol-2-amine Traditional Name: 4,5-dihydrobenzo[g][1,3]benzoxazol-2-yl(methyl)amine; tosylic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CNC1=NC2=C(O1)C3=CC=CC=C3CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CNC1=NC2=C(O1)C3=CC=CC=C3CC2

InChI

InChI=1S/C12H12N2O.C7H8O3S/c1-13-12-14-10-7-6-8-4-2-3-5-9(8)11(10)15-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,6-7H2,1H3,(H,13,14);2-5H,1H3,(H,8,9,10)