[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2,4-dichloro-5-morpholinosulfonyl-benzoate CAS Name: 2,4-dichloro-5-(4-morpholinylsulfonyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2,4-dichloro-5-morpholinosulfonyl-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H28Cl2N2O6S MolecularWeight: 531.44922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)Cl)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)Cl)Cl

InChI

InChI=1S/C23H28Cl2N2O6S/c24-18-9-19(25)20(34(30,31)27-1-3-32-4-2-27)8-17(18)22(29)33-13-21(28)26-23-10-14-5-15(11-23)7-16(6-14)12-23/h8-9,14-16H,1-7,10-13H2,(H,26,28)