(2-methoxy-5-nitro-phenyl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H21ClN2O7S/c1-29-18-8-6-16(23(25)26)11-15(18)13-30-20(24)14-5-7-17(21)19(12-14)31(27,28)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10,13H2,1H3