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

Systemtic Name: 2-(4-methoxyphenoxy)ethyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(4-methoxyphenoxy)ethyl 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid 2-(4-methoxyphenoxy)ethyl ester IUPAC Name: 2-(4-methoxyphenoxy)ethyl 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid 2-(4-methoxyphenoxy)ethyl ester Formula: C21H23ClN2O8S MolecularWeight: 498.93392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN2O8S/c1-30-17-3-5-18(6-4-17)31-12-13-32-21(25)15-8-10-23(11-9-15)33(28,29)20-14-16(24(26)27)2-7-19(20)22/h2-7,14-15H,8-13H2,1H3