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

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-7-(2-methylpropylamino)-3H-isoindol-1-one Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-7-(isobutylamino)isoindolin-1-one CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-7-(2-methylpropylamino)-3H-isoindol-1-one IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-7-(2-methylpropylamino)-3H-isoindol-1-one Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-7-(isobutylamino)isoindolin-1-one Formula: C24H32N2O5S MolecularWeight: 460.58628

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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)NCC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O5S/c1-6-31-22-12-17(10-11-21(22)30-4)20(15-32(5,28)29)26-14-18-8-7-9-19(23(18)24(26)27)25-13-16(2)3/h7-12,16,20,25H,6,13-15H2,1-5H3