N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-dioxoisoindolin-2-yl)butanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-phthalimido-butyramide Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O5S/c28-22(13-8-16-27-23(29)20-11-3-4-12-21(20)24(27)30)25-18-9-7-10-19(17-18)33(31,32)26-14-5-1-2-6-15-26/h3-4,7,9-12,17H,1-2,5-6,8,13-16H2,(H,25,28)