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

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfinyl-ethanamide Openeye Name: N-(isochroman-1-ylmethyl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfinyl-acetamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetamide Traditional Name: N-(isochroman-1-ylmethyl)-2-[2-keto-2-(p-toluidino)ethyl]sulfinyl-acetamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-15-6-8-17(9-7-15)23-21(25)14-28(26)13-20(24)22-12-19-18-5-3-2-4-16(18)10-11-27-19/h2-9,19H,10-14H2,1H3,(H,22,24)(H,23,25)