2-[[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonylamino]-3,3-dimethyl-2-propan-2-yl-butanoic acid

Systemtic Name: 2-[[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonylamino]-3,3-dimethyl-2-propan-2-yl-butanoic acid Openeye Name: 2-[[4-(4-chlorobenzoyl)-1-piperidyl]sulfonylamino]-2-isopropyl-3,3-dimethyl-butanoic acid CAS Name: 2-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]sulfonylamino]-3,3-dimethyl-2-propan-2-ylbutanoic acid IUPAC Name: 2-[[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonylamino]-3,3-dimethyl-2-propan-2-ylbutanoic acid Traditional Name: 2-[[4-(4-chlorobenzoyl)piperidino]sulfonylamino]-2-isopropyl-3,3-dimethyl-butyric acid Formula: C21H31ClN2O5S MolecularWeight: 458.99924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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