4-[3-(dimethylaminomethyl)-1H-pyrrol-2-yl]-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindole-1,3-dione

Systemtic Name: 4-[3-(dimethylaminomethyl)-1H-pyrrol-2-yl]-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindole-1,3-dione Openeye Name: 4-[3-(dimethylaminomethyl)-1H-pyrrol-2-yl]-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]isoindoline-1,3-dione CAS Name: 4-[3-(dimethylaminomethyl)-1H-pyrrol-2-yl]-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione IUPAC Name: 4-[3-(dimethylaminomethyl)-1H-pyrrol-2-yl]-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione Traditional Name: 4-[3-(dimethylaminomethyl)-1H-pyrrol-2-yl]-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]isoindoline-1,3-quinone Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=CC=CC(=C3C2=O)C4=C(C=CN4)CN(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=CC=CC(=C3C2=O)C4=C(C=CN4)CN(C)C)OC

InChI

InChI=1S/C27H31N3O6S/c1-6-36-23-14-17(10-11-22(23)35-4)21(16-37(5,33)34)30-26(31)20-9-7-8-19(24(20)27(30)32)25-18(12-13-28-25)15-29(2)3/h7-14,21,28H,6,15-16H2,1-5H3