7a-[3-[(5-chloranyl-1-ethyl-benzimidazol-2-yl)sulfinylmethyl]-2,6-dimethyl-phenyl]-2-methoxy-3aH-isoindole-1,3-dione

Systemtic Name: 7a-[3-[(5-chloranyl-1-ethyl-benzimidazol-2-yl)sulfinylmethyl]-2,6-dimethyl-phenyl]-2-methoxy-3aH-isoindole-1,3-dione Openeye Name: 7a-[3-[(5-chloro-1-ethyl-benzimidazol-2-yl)sulfinylmethyl]-2,6-dimethyl-phenyl]-2-methoxy-3aH-isoindole-1,3-dione CAS Name: 7a-[3-[(5-chloro-1-ethyl-2-benzimidazolyl)sulfinylmethyl]-2,6-dimethylphenyl]-2-methoxy-3aH-isoindole-1,3-dione IUPAC Name: 7a-[3-[(5-chloro-1-ethylbenzimidazol-2-yl)sulfinylmethyl]-2,6-dimethylphenyl]-2-methoxy-3aH-isoindole-1,3-dione Traditional Name: 7a-[3-[(5-chloro-1-ethyl-benzimidazol-2-yl)sulfinylmethyl]-2,6-dimethyl-phenyl]-2-methoxy-3aH-isoindole-1,3-quinone Formula: C27H26ClN3O4S MolecularWeight: 524.03104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Cl)N=C1S(=O)CC3=C(C(=C(C=C3)C)C45C=CC=CC4C(=O)N(C5=O)OC)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Cl)N=C1S(=O)CC3=C(C(=C(C=C3)C)C45C=CC=CC4C(=O)N(C5=O)OC)C

InChI

InChI=1S/C27H26ClN3O4S/c1-5-30-22-12-11-19(28)14-21(22)29-26(30)36(34)15-18-10-9-16(2)23(17(18)3)27-13-7-6-8-20(27)24(32)31(35-4)25(27)33/h6-14,20H,5,15H2,1-4H3