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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-phthalimido-propionamide Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C21H20ClN3O5S/c22-17-8-7-14(13-18(17)31(29,30)24-10-3-4-11-24)23-19(26)9-12-25-20(27)15-5-1-2-6-16(15)21(25)28/h1-2,5-8,13H,3-4,9-12H2,(H,23,26)