[1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21FN2O5S MolecularWeight: 432.465243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CC(C(=O)N(C)CC1=CC(=CC=C1)F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C21H21FN2O5S/c1-4-12-23-30(27,28)19-10-8-17(9-11-19)21(26)29-15(2)20(25)24(3)14-16-6-5-7-18(22)13-16/h1,5-11,13,15,23H,12,14H2,2-3H3