[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C20H20N2O6S/c1-3-11-22-29(25,26)18-9-7-16(8-10-18)20(24)28-14-19(23)21-13-15-5-4-6-17(12-15)27-2/h1,4-10,12,22H,11,13-14H2,2H3,(H,21,23)