2-(3-chloranylphenoxy)ethyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(3-chloranylphenoxy)ethyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(3-chlorophenoxy)ethyl 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid 2-(3-chlorophenoxy)ethyl ester IUPAC Name: 2-(3-chlorophenoxy)ethyl 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid 2-(3-chlorophenoxy)ethyl ester Formula: C20H20Cl2N2O7S MolecularWeight: 503.353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC(=CC=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC(=CC=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20Cl2N2O7S/c21-15-2-1-3-17(12-15)30-10-11-31-20(25)14-6-8-23(9-7-14)32(28,29)19-13-16(24(26)27)4-5-18(19)22/h1-5,12-14H,6-11H2