[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C20H19BrN2O5S/c1-3-12-22-29(26,27)18-10-6-16(7-11-18)20(25)28-13-19(24)23-14(2)15-4-8-17(21)9-5-15/h1,4-11,14,22H,12-13H2,2H3,(H,23,24)