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

Systemtic Name: 2-[3-cyclohexyl-2,5-bis(oxidanylidene)-4-sulfonyl-pyrrolidin-1-yl]-5-methyl-benzenesulfonic acid Openeye Name: 2-(3-cyclohexyl-2,5-dioxo-4-sulfonyl-pyrrolidin-1-yl)-5-methyl-benzenesulfonic acid CAS Name: 2-(3-cyclohexyl-2,5-dioxo-4-sulfonyl-1-pyrrolidinyl)-5-methylbenzenesulfonic acid IUPAC Name: 2-(3-cyclohexyl-2,5-dioxo-4-sulfonylpyrrolidin-1-yl)-5-methylbenzenesulfonic acid Traditional Name: 2-(3-cyclohexyl-2,5-diketo-4-sulfonyl-pyrrolidino)-5-methyl-besylic acid Formula: C17H19NO7S2 MolecularWeight: 413.46526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(C(=S(=O)=O)C2=O)C3CCCCC3)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(C(=S(=O)=O)C2=O)C3CCCCC3)S(=O)(=O)O

InChI

InChI=1S/C17H19NO7S2/c1-10-7-8-12(13(9-10)27(23,24)25)18-16(19)14(11-5-3-2-4-6-11)15(17(18)20)26(21)22/h7-9,11,14H,2-6H2,1H3,(H,23,24,25)