methyl 4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[2-[(2-adamantylamino)-oxomethyl]-1-pyrrolidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-adamantylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[2-(2-adamantylcarbamoyl)pyrrolidino]sulfonylbenzoic acid methyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H30N2O5S/c1-30-23(27)16-4-6-19(7-5-16)31(28,29)25-8-2-3-20(25)22(26)24-21-17-10-14-9-15(12-17)13-18(21)11-14/h4-7,14-15,17-18,20-21H,2-3,8-13H2,1H3,(H,24,26)