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

Systemtic Name: tert-butyl 2-[4-(aminomethyl)-4-methoxy-piperidin-1-yl]sulfonyl-5-chloranyl-benzoate Openeye Name: tert-butyl 2-[[4-(aminomethyl)-4-methoxy-1-piperidyl]sulfonyl]-5-chloro-benzoate CAS Name: 2-[[4-(aminomethyl)-4-methoxy-1-piperidinyl]sulfonyl]-5-chlorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-5-chlorobenzoate Traditional Name: 2-[4-(aminomethyl)-4-methoxy-piperidino]sulfonyl-5-chloro-benzoic acid tert-butyl ester Formula: C18H27ClN2O5S MolecularWeight: 418.93538

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O5S/c1-17(2,3)26-16(22)14-11-13(19)5-6-15(14)27(23,24)21-9-7-18(12-20,25-4)8-10-21/h5-6,11H,7-10,12,20H2,1-4H3