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

Systemtic Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanamide Openeye Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-oxoisoindolin-2-yl)-3-phenyl-propanamide CAS Name: (2S)-N-[4-(1-azepanylsulfonyl)phenyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide IUPAC Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide Traditional Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-ketoisoindolin-2-yl)-3-phenyl-propionamide Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C29H31N3O4S/c33-28(30-24-14-16-25(17-15-24)37(35,36)31-18-8-1-2-9-19-31)27(20-22-10-4-3-5-11-22)32-21-23-12-6-7-13-26(23)29(32)34/h3-7,10-17,27H,1-2,8-9,18-21H2,(H,30,33)/t27-/m0/s1