N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)-2-phenyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)-2-phenyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-oxoisoindolin-2-yl)-2-phenyl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-ketoisoindolin-2-yl)-2-phenyl-acetamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C28H29N3O4S/c32-27(29-23-14-16-24(17-15-23)36(34,35)30-18-8-1-2-9-19-30)26(21-10-4-3-5-11-21)31-20-22-12-6-7-13-25(22)28(31)33/h3-7,10-17,26H,1-2,8-9,18-20H2,(H,29,32)