2-azanyl-2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonyl-3-methyl-butanoic acid

Systemtic Name: 2-azanyl-2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonyl-3-methyl-butanoic acid Openeye Name: 2-amino-2-[[4-(4-chlorobenzoyl)-1-piperidyl]sulfonyl]-3-methyl-butanoic acid CAS Name: 2-amino-2-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]sulfonyl]-3-methylbutanoic acid IUPAC Name: 2-amino-2-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-methylbutanoic acid Traditional Name: 2-amino-2-[4-(4-chlorobenzoyl)piperidino]sulfonyl-3-methyl-butyric acid Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O5S/c1-11(2)17(19,16(22)23)26(24,25)20-9-7-13(8-10-20)15(21)12-3-5-14(18)6-4-12/h3-6,11,13H,7-10,19H2,1-2H3,(H,22,23)