N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C20H17ClN4O7S MolecularWeight: 492.88958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O7S/c21-16-6-4-13(33(31,32)23-7-1-2-8-23)10-17(16)22-18(26)11-24-19(27)14-5-3-12(25(29)30)9-15(14)20(24)28/h3-6,9-10H,1-2,7-8,11H2,(H,22,26)