tert-butyl 2-[4-(azidomethyl)-4-methoxy-piperidin-1-yl]sulfonyl-5-chloranyl-benzoate

Systemtic Name: tert-butyl 2-[4-(azidomethyl)-4-methoxy-piperidin-1-yl]sulfonyl-5-chloranyl-benzoate Openeye Name: tert-butyl 2-[[4-(azidomethyl)-4-methoxy-1-piperidyl]sulfonyl]-5-chloro-benzoate CAS Name: 2-[[4-(azidomethyl)-4-methoxy-1-piperidinyl]sulfonyl]-5-chlorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(azidomethyl)-4-methoxypiperidin-1-yl]sulfonyl-5-chlorobenzoate Traditional Name: 2-[4-(azidomethyl)-4-methoxy-piperidino]sulfonyl-5-chloro-benzoic acid tert-butyl ester Formula: C18H25ClN4O5S MolecularWeight: 444.9329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)(CN=[N+]=[N-])OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)(CN=[N+]=[N-])OC

InChI

InChI=1S/C18H25ClN4O5S/c1-17(2,3)28-16(24)14-11-13(19)5-6-15(14)29(25,26)23-9-7-18(27-4,8-10-23)12-21-22-20/h5-6,11H,7-10,12H2,1-4H3