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

Systemtic Name: 5-[3-cyclohexyl-2,5-bis(oxidanylidene)-4-sulfonyl-pyrrolidin-1-yl]-2-methyl-benzoic acid Openeye Name: 5-(3-cyclohexyl-2,5-dioxo-4-sulfonyl-pyrrolidin-1-yl)-2-methyl-benzoic acid CAS Name: 5-(3-cyclohexyl-2,5-dioxo-4-sulfonyl-1-pyrrolidinyl)-2-methylbenzoic acid IUPAC Name: 5-(3-cyclohexyl-2,5-dioxo-4-sulfonylpyrrolidin-1-yl)-2-methylbenzoic acid Traditional Name: 5-(3-cyclohexyl-2,5-diketo-4-sulfonyl-pyrrolidino)-2-methyl-benzoic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6S/c1-10-7-8-12(9-13(10)18(22)23)19-16(20)14(11-5-3-2-4-6-11)15(17(19)21)26(24)25/h7-9,11,14H,2-6H2,1H3,(H,22,23)