[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [(1R)-2-keto-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C21H29BrN2O6S MolecularWeight: 517.43376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H29BrN2O6S/c1-14-5-3-4-6-18(14)23-20(25)15(2)30-21(26)16-7-8-17(22)19(13-16)31(27,28)24-9-11-29-12-10-24/h7-8,13-15,18H,3-6,9-12H2,1-2H3,(H,23,25)/t14-,15+,18+/m0/s1