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

Systemtic Name: 2-phenoxyethyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-phenoxyethyl 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid 2-phenoxyethyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O7S/c21-18-7-6-16(23(25)26)14-19(18)31(27,28)22-10-8-15(9-11-22)20(24)30-13-12-29-17-4-2-1-3-5-17/h1-7,14-15H,8-13H2