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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O7S/c1-15-6-4-5-7-18(15)23-21(25)16(2)31-22(26)17-8-9-19(29-3)20(14-17)32(27,28)24-10-12-30-13-11-24/h8-9,14-16,18H,4-7,10-13H2,1-3H3,(H,23,25)/t15-,16+,18+/m0/s1