[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(3-isopropoxypropylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(3-isopropoxypropylamino)-2-keto-ethyl] ester Formula: C16H22ClNO6S MolecularWeight: 391.86698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)OCCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C16H22ClNO6S/c1-11(2)23-8-4-7-18-15(19)10-24-16(20)13-9-12(25(3,21)22)5-6-14(13)17/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,19)