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

Systemtic Name: tert-butyl 2-[4-(aminomethyl)-4-oxidanyl-piperidin-1-yl]sulfonyl-5-chloranyl-benzoate Openeye Name: tert-butyl 2-[[4-(aminomethyl)-4-hydroxy-1-piperidyl]sulfonyl]-5-chloro-benzoate CAS Name: 2-[[4-(aminomethyl)-4-hydroxy-1-piperidinyl]sulfonyl]-5-chlorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]sulfonyl-5-chlorobenzoate Traditional Name: 2-[4-(aminomethyl)-4-hydroxy-piperidino]sulfonyl-5-chloro-benzoic acid tert-butyl ester Formula: C17H25ClN2O5S MolecularWeight: 404.9088

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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)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)(CN)O

InChI

InChI=1S/C17H25ClN2O5S/c1-16(2,3)25-15(21)13-10-12(18)4-5-14(13)26(23,24)20-8-6-17(22,11-19)7-9-20/h4-5,10,22H,6-9,11,19H2,1-3H3