2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid 2-phthalimidoethyl ester Formula: C22H20ClN3O8S MolecularWeight: 521.9275

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H20ClN3O8S/c23-18-6-5-15(26(30)31)13-19(18)35(32,33)24-9-7-14(8-10-24)22(29)34-12-11-25-20(27)16-3-1-2-4-17(16)21(25)28/h1-6,13-14H,7-12H2