N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfinyl-ethanamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfinyl-ethanamide Openeye Name: 2-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfinyl-N-(isochroman-1-ylmethyl)acetamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfinylacetamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfinylacetamide Traditional Name: 2-[2-(3,5-dimethylanilino)-2-keto-ethyl]sulfinyl-N-(isochroman-1-ylmethyl)acetamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CS(=O)CC(=O)NCC2C3=CC=CC=C3CCO2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CS(=O)CC(=O)NCC2C3=CC=CC=C3CCO2)C

InChI

InChI=1S/C22H26N2O4S/c1-15-9-16(2)11-18(10-15)24-22(26)14-29(27)13-21(25)23-12-20-19-6-4-3-5-17(19)7-8-28-20/h3-6,9-11,20H,7-8,12-14H2,1-2H3,(H,23,25)(H,24,26)