4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonyl-3-chloranyl-benzoic acid

Systemtic Name: 4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonyl-3-chloranyl-benzoic acid Openeye Name: 4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonyl-3-chloro-benzoic acid CAS Name: 4-[[2-[(2-adamantylamino)-oxomethyl]-1-pyrrolidinyl]sulfonyl]-3-chlorobenzoic acid IUPAC Name: 4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonyl-3-chlorobenzoic acid Traditional Name: 4-[2-(2-adamantylcarbamoyl)pyrrolidino]sulfonyl-3-chloro-benzoic acid Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O5S/c23-17-11-14(22(27)28)3-4-19(17)31(29,30)25-5-1-2-18(25)21(26)24-20-15-7-12-6-13(9-15)10-16(20)8-12/h3-4,11-13,15-16,18,20H,1-2,5-10H2,(H,24,26)(H,27,28)