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

Systemtic Name: 7-azanyl-4-chloranyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-3H-isoindol-1-one Openeye Name: 7-amino-4-chloro-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindolin-1-one CAS Name: 7-amino-4-chloro-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3H-isoindol-1-one IUPAC Name: 7-amino-4-chloro-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3H-isoindol-1-one Traditional Name: 7-amino-4-chloro-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]isoindolin-1-one Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2CC3=C(C=CC(=C3C2=O)N)Cl)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2CC3=C(C=CC(=C3C2=O)N)Cl)OC

InChI

InChI=1S/C20H23ClN2O5S/c1-4-28-18-9-12(5-8-17(18)27-2)16(11-29(3,25)26)23-10-13-14(21)6-7-15(22)19(13)20(23)24/h5-9,16H,4,10-11,22H2,1-3H3