[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C20H26N2O5S/c1-3-12-22-28(25,26)18-11-7-10-17(13-18)20(24)27-15(2)19(23)21-14-16-8-5-4-6-9-16/h1,7,10-11,13,15-16,22H,4-6,8-9,12,14H2,2H3,(H,21,23)