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

Systemtic Name: methyl 2-acetyloxy-4-[3-cyclohexyl-2,5-bis(oxidanylidene)-4-sulfonyl-pyrrolidin-1-yl]benzoate Openeye Name: methyl 2-acetoxy-4-(3-cyclohexyl-2,5-dioxo-4-sulfonyl-pyrrolidin-1-yl)benzoate CAS Name: 2-acetyloxy-4-(3-cyclohexyl-2,5-dioxo-4-sulfonyl-1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 2-acetyloxy-4-(3-cyclohexyl-2,5-dioxo-4-sulfonylpyrrolidin-1-yl)benzoate Traditional Name: 2-acetoxy-4-(3-cyclohexyl-2,5-diketo-4-sulfonyl-pyrrolidino)benzoic acid methyl ester Formula: C20H21NO8S MolecularWeight: 435.44764

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO8S/c1-11(22)29-15-10-13(8-9-14(15)20(25)28-2)21-18(23)16(12-6-4-3-5-7-12)17(19(21)24)30(26)27/h8-10,12,16H,3-7H2,1-2H3