[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H20N2O5S/c1-4-11-21-19(23)13-27-20(24)16-7-9-17(10-8-16)22-28(25,26)18-12-14(2)5-6-15(18)3/h1,5-10,12,22H,11,13H2,2-3H3,(H,21,23)