methyl 1-[2-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-(4-chlorophenyl)sulfanyl-5-nitro-benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(4-chlorophenyl)sulfanyl-5-nitrobenzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(4-chlorophenyl)thio]-5-nitro-benzoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C22H21ClN2O7S MolecularWeight: 492.92934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O7S/c1-31-21(27)14-8-10-24(11-9-14)20(26)13-32-22(28)18-12-16(25(29)30)4-7-19(18)33-17-5-2-15(23)3-6-17/h2-7,12,14H,8-11,13H2,1H3