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

Systemtic Name: tert-butyl 2-[[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonylamino]-3-methyl-butanoate Openeye Name: tert-butyl 2-[[4-(4-chlorobenzoyl)-1-piperidyl]sulfonylamino]-3-methyl-butanoate CAS Name: 2-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]sulfonylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonylamino]-3-methylbutanoate Traditional Name: 2-[[4-(4-chlorobenzoyl)piperidino]sulfonylamino]-3-methyl-butyric acid tert-butyl ester Formula: C21H31ClN2O5S MolecularWeight: 458.99924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H31ClN2O5S/c1-14(2)18(20(26)29-21(3,4)5)23-30(27,28)24-12-10-16(11-13-24)19(25)15-6-8-17(22)9-7-15/h6-9,14,16,18,23H,10-13H2,1-5H3