5-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(2-chloro-5-pyrrolidinosulfonyl-anilino)-5-keto-3,3-dimethyl-valeric acid Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl)CC(=O)O

InChI

InChI=1S/C17H23ClN2O5S/c1-17(2,11-16(22)23)10-15(21)19-14-9-12(5-6-13(14)18)26(24,25)20-7-3-4-8-20/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,19,21)(H,22,23)