[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 4-[(4-ethoxyphenyl)sulfonylamino]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-(p-phenetylsulfonylamino)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

InChI

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