2-[1-(3-ethoxy-4-methoxy-phenyl)-2-sulfonyl-ethyl]-4-(imidazol-1-ylmethyl)isoindole-1,3-dione

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-sulfonyl-ethyl]-4-(imidazol-1-ylmethyl)isoindole-1,3-dione Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-sulfonyl-ethyl]-4-(imidazol-1-ylmethyl)isoindoline-1,3-dione CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-sulfonylethyl]-4-(1-imidazolylmethyl)isoindole-1,3-dione IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-sulfonylethyl]-4-(imidazol-1-ylmethyl)isoindole-1,3-dione Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-sulfonyl-ethyl]-4-(imidazol-1-ylmethyl)isoindoline-1,3-quinone Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C=S(=O)=O)N2C(=O)C3=C(C2=O)C(=CC=C3)CN4C=CN=C4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C=S(=O)=O)N2C(=O)C3=C(C2=O)C(=CC=C3)CN4C=CN=C4)OC

InChI

InChI=1S/C23H21N3O6S/c1-3-32-20-11-15(7-8-19(20)31-2)18(13-33(29)30)26-22(27)17-6-4-5-16(21(17)23(26)28)12-25-10-9-24-14-25/h4-11,13-14,18H,3,12H2,1-2H3