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

Systemtic Name: 7-bromanyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide Openeye Name: 7-bromo-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide CAS Name: 7-bromo-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide IUPAC Name: 7-bromo-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide Traditional Name: 7-bromo-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-3-keto-3a,7a-dihydro-1H-isoindole-1-carboxamide Formula: C21H25BrN2O6S MolecularWeight: 513.402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(C3C(C2=O)C=CC=C3Br)C(=O)N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(C3C(C2=O)C=CC=C3Br)C(=O)N)OC

InChI

InChI=1S/C21H25BrN2O6S/c1-4-30-17-10-12(8-9-16(17)29-2)15(11-31(3,27)28)24-19(20(23)25)18-13(21(24)26)6-5-7-14(18)22/h5-10,13,15,18-19H,4,11H2,1-3H3,(H2,23,25)