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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)butanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(1,3-dioxoisoindolin-2-yl)butanamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-4-(1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-4-phthalimido-butyramide Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C22H22ClN3O5S/c23-18-10-9-15(14-19(18)32(30,31)25-11-3-4-12-25)24-20(27)8-5-13-26-21(28)16-6-1-2-7-17(16)22(26)29/h1-2,6-7,9-10,14H,3-5,8,11-13H2,(H,24,27)