5-[[4-[2,4-bis(oxidanylidene)pentan-3-ylsulfonylmethyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-[2,4-bis(oxidanylidene)pentan-3-ylsulfonylmethyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[(1-acetyl-2-oxo-propyl)sulfonylmethyl]anilino]-5-oxo-pentanoic acid CAS Name: 5-[4-(2,4-dioxopentan-3-ylsulfonylmethyl)anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-(2,4-dioxopentan-3-ylsulfonylmethyl)anilino]-5-oxopentanoic acid Traditional Name: 5-[4-[(1-acetyl-2-keto-propyl)sulfonylmethyl]anilino]-5-keto-valeric acid Formula: C17H21NO7S MolecularWeight: 383.41614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)S(=O)(=O)CC1=CC=C(C=C1)NC(=O)CCCC(=O)O

Isomeric SMILES

CC(=O)C(C(=O)C)S(=O)(=O)CC1=CC=C(C=C1)NC(=O)CCCC(=O)O

InChI

InChI=1S/C17H21NO7S/c1-11(19)17(12(2)20)26(24,25)10-13-6-8-14(9-7-13)18-15(21)4-3-5-16(22)23/h6-9,17H,3-5,10H2,1-2H3,(H,18,21)(H,22,23)