ethyl 4-phenoxy-3-(prop-2-ynylamino)-5-sulfamoyl-benzoate

Systemtic Name: ethyl 4-phenoxy-3-(prop-2-ynylamino)-5-sulfamoyl-benzoate Openeye Name: ethyl 4-phenoxy-3-(prop-2-ynylamino)-5-sulfamoyl-benzoate CAS Name: 4-phenoxy-3-(prop-2-ynylamino)-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 4-phenoxy-3-(prop-2-ynylamino)-5-sulfamoylbenzoate Traditional Name: 4-phenoxy-3-(propargylamino)-5-sulfamoyl-benzoic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)NCC#C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)NCC#C

InChI

InChI=1S/C18H18N2O5S/c1-3-10-20-15-11-13(18(21)24-4-2)12-16(26(19,22)23)17(15)25-14-8-6-5-7-9-14/h1,5-9,11-12,20H,4,10H2,2H3,(H2,19,22,23)