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

Systemtic Name: 4-[3-cyclohexyl-2,5-bis(oxidanylidene)-4-sulfonyl-pyrrolidin-1-yl]benzenesulfonic acid Openeye Name: 4-(3-cyclohexyl-2,5-dioxo-4-sulfonyl-pyrrolidin-1-yl)benzenesulfonic acid CAS Name: 4-(3-cyclohexyl-2,5-dioxo-4-sulfonyl-1-pyrrolidinyl)benzenesulfonic acid IUPAC Name: 4-(3-cyclohexyl-2,5-dioxo-4-sulfonylpyrrolidin-1-yl)benzenesulfonic acid Traditional Name: 4-(3-cyclohexyl-2,5-diketo-4-sulfonyl-pyrrolidino)besylic acid Formula: C16H17NO7S2 MolecularWeight: 399.43868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2C(=S(=O)=O)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)C2C(=S(=O)=O)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H17NO7S2/c18-15-13(10-4-2-1-3-5-10)14(25(20)21)16(19)17(15)11-6-8-12(9-7-11)26(22,23)24/h6-10,13H,1-5H2,(H,22,23,24)