[(2S)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(2S)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1S)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [(1S)-2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O7S2/c1-16(21(25)17-6-10-19(11-7-17)23-32(2,27)28)31-22(26)18-8-12-20(13-9-18)33(29,30)24-14-4-3-5-15-24/h6-13,16,23H,3-5,14-15H2,1-2H3/t16-/m0/s1