[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H30ClNO5S MolecularWeight: 480.0167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCC5)Cl

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCC5)Cl

InChI

InChI=1S/C24H30ClNO5S/c1-15(22(27)24-12-16-8-17(13-24)10-18(9-16)14-24)31-23(28)20-11-19(4-5-21(20)25)32(29,30)26-6-2-3-7-26/h4-5,11,15-18H,2-3,6-10,12-14H2,1H3