2-acetyloxy-4-[3-cyclohexyl-2,5-bis(oxidanylidene)-4-sulfonyl-pyrrolidin-1-yl]benzoic acid

Systemtic Name: 2-acetyloxy-4-[3-cyclohexyl-2,5-bis(oxidanylidene)-4-sulfonyl-pyrrolidin-1-yl]benzoic acid Openeye Name: 2-acetoxy-4-(3-cyclohexyl-2,5-dioxo-4-sulfonyl-pyrrolidin-1-yl)benzoic acid CAS Name: 2-acetyloxy-4-(3-cyclohexyl-2,5-dioxo-4-sulfonyl-1-pyrrolidinyl)benzoic acid IUPAC Name: 2-acetyloxy-4-(3-cyclohexyl-2,5-dioxo-4-sulfonylpyrrolidin-1-yl)benzoic acid Traditional Name: 2-acetoxy-4-(3-cyclohexyl-2,5-diketo-4-sulfonyl-pyrrolidino)benzoic acid Formula: C19H19NO8S MolecularWeight: 421.42106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)N2C(=O)C(C(=S(=O)=O)C2=O)C3CCCCC3)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)N2C(=O)C(C(=S(=O)=O)C2=O)C3CCCCC3)C(=O)O

InChI

InChI=1S/C19H19NO8S/c1-10(21)28-14-9-12(7-8-13(14)19(24)25)20-17(22)15(11-5-3-2-4-6-11)16(18(20)23)29(26)27/h7-9,11,15H,2-6H2,1H3,(H,24,25)