(2-oxidanylidene-2-phenylazanyl-ethyl) 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid (2-anilino-2-keto-ethyl) ester Formula: C20H20ClN3O7S MolecularWeight: 481.9067

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O7S/c21-17-7-6-16(24(27)28)12-18(17)32(29,30)23-10-8-14(9-11-23)20(26)31-13-19(25)22-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,22,25)