[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate Openeye Name: [(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 4-(allylsulfamoyl)benzoate CAS Name: 4-(prop-2-enylsulfamoyl)benzoic acid [(2S)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate Traditional Name: 4-(allylsulfamoyl)benzoic acid [(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C

InChI

InChI=1S/C21H28N2O5S/c1-3-14-23-29(26,27)19-11-9-18(10-12-19)21(25)28-16(2)20(24)22-15-13-17-7-5-4-6-8-17/h3,7,9-12,16,23H,1,4-6,8,13-15H2,2H3,(H,22,24)/t16-/m0/s1