2-[cyclopentyl-(2-ethanoylsulfanyl-4-methylsulfonyl-phenyl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[cyclopentyl-(2-ethanoylsulfanyl-4-methylsulfonyl-phenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[(2-acetylsulfanyl-4-methylsulfonyl-benzoyl)-cyclopentyl-amino]acetic acid CAS Name: 2-[[[2-(acetylthio)-4-methylsulfonylphenyl]-oxomethyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[(2-acetylsulfanyl-4-methylsulfonylbenzoyl)-cyclopentylamino]acetic acid Traditional Name: 2-[[2-(acetylthio)-4-mesyl-benzoyl]-cyclopentyl-amino]acetic acid Formula: C17H21NO6S2 MolecularWeight: 399.48174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)N(CC(=O)O)C2CCCC2

Isomeric SMILES

CC(=O)SC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)N(CC(=O)O)C2CCCC2

InChI

InChI=1S/C17H21NO6S2/c1-11(19)25-15-9-13(26(2,23)24)7-8-14(15)17(22)18(10-16(20)21)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,20,21)