N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-(isochroman-1-ylmethyl)-2-(p-tolylsulfonylamino)propanamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-(isochroman-1-ylmethyl)-2-(tosylamino)propionamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-14-7-9-17(10-8-14)27(24,25)22-15(2)20(23)21-13-19-18-6-4-3-5-16(18)11-12-26-19/h3-10,15,19,22H,11-13H2,1-2H3,(H,21,23)