(2S)-6-acetamido-N-(4-methyl-2-oxidanylidene-chromen-7-yl)-2-[(4-methylphenyl)sulfonylamino]hexanamide

Systemtic Name: (2S)-6-acetamido-N-(4-methyl-2-oxidanylidene-chromen-7-yl)-2-[(4-methylphenyl)sulfonylamino]hexanamide Openeye Name: (2S)-6-acetamido-N-(4-methyl-2-oxo-chromen-7-yl)-2-(p-tolylsulfonylamino)hexanamide CAS Name: (2S)-6-acetamido-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-2-[(4-methylphenyl)sulfonylamino]hexanamide IUPAC Name: (2S)-6-acetamido-N-(4-methyl-2-oxochromen-7-yl)-2-[(4-methylphenyl)sulfonylamino]hexanamide Traditional Name: (2S)-6-acetamido-N-(2-keto-4-methyl-chromen-7-yl)-2-(tosylamino)hexanamide Formula: C25H29N3O6S MolecularWeight: 499.57926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)C)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCNC(=O)C)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C25H29N3O6S/c1-16-7-10-20(11-8-16)35(32,33)28-22(6-4-5-13-26-18(3)29)25(31)27-19-9-12-21-17(2)14-24(30)34-23(21)15-19/h7-12,14-15,22,28H,4-6,13H2,1-3H3,(H,26,29)(H,27,31)/t22-/m0/s1