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

Systemtic Name: tert-butyl 2-[4-(aminomethyl)-4-methyl-piperidin-1-yl]sulfonyl-5-chloranyl-benzoate Openeye Name: tert-butyl 2-[[4-(aminomethyl)-4-methyl-1-piperidyl]sulfonyl]-5-chloro-benzoate CAS Name: 2-[[4-(aminomethyl)-4-methyl-1-piperidinyl]sulfonyl]-5-chlorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-5-chlorobenzoate Traditional Name: 2-[4-(aminomethyl)-4-methyl-piperidino]sulfonyl-5-chloro-benzoic acid tert-butyl ester Formula: C18H27ClN2O4S MolecularWeight: 402.93598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)C(=O)OC(C)(C)C)CN

Isomeric SMILES

CC1(CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)C(=O)OC(C)(C)C)CN

InChI

InChI=1S/C18H27ClN2O4S/c1-17(2,3)25-16(22)14-11-13(19)5-6-15(14)26(23,24)21-9-7-18(4,12-20)8-10-21/h5-6,11H,7-10,12,20H2,1-4H3