2-[1-(3-ethoxy-4-methoxy-phenyl)-3-methylsulfonyl-propyl]-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-methylsulfonyl-propyl]-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-methylsulfonyl-propyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-methylsulfonylpropyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-methylsulfonylpropyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-mesyl-propyl]-3-keto-3a,7a-dihydro-1H-isoindole-1-carboxamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CCS(=O)(=O)C)N2C(C3C=CC=CC3C2=O)C(=O)N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CCS(=O)(=O)C)N2C(C3C=CC=CC3C2=O)C(=O)N)OC

InChI

InChI=1S/C22H28N2O6S/c1-4-30-19-13-14(9-10-18(19)29-2)17(11-12-31(3,27)28)24-20(21(23)25)15-7-5-6-8-16(15)22(24)26/h5-10,13,15-17,20H,4,11-12H2,1-3H3,(H2,23,25)