7-azanyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-3H-isoindol-1-one

Systemtic Name: 7-azanyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-3H-isoindol-1-one Openeye Name: 7-amino-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindolin-1-one CAS Name: 7-amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3H-isoindol-1-one IUPAC Name: 7-amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3H-isoindol-1-one Traditional Name: 7-amino-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]isoindolin-1-one Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2CC3=C(C2=O)C(=CC=C3)N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2CC3=C(C2=O)C(=CC=C3)N)OC

InChI

InChI=1S/C20H24N2O5S/c1-4-27-18-10-13(8-9-17(18)26-2)16(12-28(3,24)25)22-11-14-6-5-7-15(21)19(14)20(22)23/h5-10,16H,4,11-12,21H2,1-3H3