N-[2-(3,5-dimethylphenyl)-3H-isoindol-1-ylidene]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(3,5-dimethylphenyl)-3H-isoindol-1-ylidene]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(3,5-dimethylphenyl)isoindolin-1-ylidene]-4-morpholinosulfonyl-benzamide CAS Name: N-[2-(3,5-dimethylphenyl)-3H-isoindol-1-ylidene]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(3,5-dimethylphenyl)-3H-isoindol-1-ylidene]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(3,5-dimethylphenyl)isoindolin-1-ylidene]-4-morpholinosulfonyl-benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C

InChI

InChI=1S/C27H27N3O4S/c1-19-15-20(2)17-23(16-19)30-18-22-5-3-4-6-25(22)26(30)28-27(31)21-7-9-24(10-8-21)35(32,33)29-11-13-34-14-12-29/h3-10,15-17H,11-14,18H2,1-2H3