[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S/c1-17(22(26)25-20-12-6-3-7-13-20)30-23(27)19-11-8-14-21(15-19)31(28,29)24-16-18-9-4-2-5-10-18/h2,4-5,8-11,14-15,17,20,24H,3,6-7,12-13,16H2,1H3,(H,25,26)/t17-/m0/s1