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

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-3-keto-3a,7a-dihydro-1H-isoindole-1-carboxamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-4-29-18-11-13(9-10-17(18)28-2)16(12-30(3,26)27)23-19(20(22)24)14-7-5-6-8-15(14)21(23)25/h5-11,14-16,19H,4,12H2,1-3H3,(H2,22,24)