tert-butyl 2-[[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonyl-methyl-amino]-3-methyl-butanoate

Systemtic Name: tert-butyl 2-[[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonyl-methyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl 2-[[4-(4-chlorobenzoyl)-1-piperidyl]sulfonyl-methyl-amino]-3-methyl-butanoate CAS Name: 2-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]sulfonyl-methylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-methylamino]-3-methylbutanoate Traditional Name: 2-[[4-(4-chlorobenzoyl)piperidino]sulfonyl-methyl-amino]-3-methyl-butyric acid tert-butyl ester Formula: C22H33ClN2O5S MolecularWeight: 473.02582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)N(C)S(=O)(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)OC(C)(C)C)N(C)S(=O)(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H33ClN2O5S/c1-15(2)19(21(27)30-22(3,4)5)24(6)31(28,29)25-13-11-17(12-14-25)20(26)16-7-9-18(23)10-8-16/h7-10,15,17,19H,11-14H2,1-6H3