4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoic acid CAS Name: 4-[[2-[(2-adamantylamino)-oxomethyl]-1-pyrrolidinyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(2-adamantylcarbamoyl)pyrrolidino]sulfonylbenzoic acid Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H28N2O5S/c25-21(23-20-16-9-13-8-14(11-16)12-17(20)10-13)19-2-1-7-24(19)30(28,29)18-5-3-15(4-6-18)22(26)27/h3-6,13-14,16-17,19-20H,1-2,7-12H2,(H,23,25)(H,26,27)