2-azanyl-4-methyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)pentanamide; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-4-methyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)pentanamide; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-4-methyl-N-(4-methyl-2-oxo-chromen-7-yl)pentanamide; 4-methylbenzenesulfonic acid CAS Name: 2-amino-4-methyl-N-(4-methyl-2-oxo-1-benzopyran-7-yl)pentanamide; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-N-(2-keto-4-methyl-chromen-7-yl)-4-methyl-valeramide; tosylic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C16H20N2O3.C7H8O3S/c1-9(2)6-13(17)16(20)18-11-4-5-12-10(3)7-15(19)21-14(12)8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7-9,13H,6,17H2,1-3H3,(H,18,20);2-5H,1H3,(H,8,9,10)