[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H32N2O7S MolecularWeight: 468.56368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H32N2O7S/c1-16(21(25)23-15-17-6-4-3-5-7-17)31-22(26)18-8-9-19(29-2)20(14-18)32(27,28)24-10-12-30-13-11-24/h8-9,14,16-17H,3-7,10-13,15H2,1-2H3,(H,23,25)/t16-/m1/s1