[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC#C

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC#C

InChI

InChI=1S/C20H28N2O5S/c1-6-11-21-28(25,26)18-9-7-17(8-10-18)20(24)27-14-19(23)22(12-15(2)3)13-16(4)5/h1,7-10,15-16,21H,11-14H2,2-5H3