[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H29ClN2O5S MolecularWeight: 481.00476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C23H29ClN2O5S/c24-19-4-3-18(10-20(19)32(29,30)26-5-1-2-6-26)22(28)31-14-21(27)25-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-4,10,15-17H,1-2,5-9,11-14H2,(H,25,27)