4-phenoxy-3-(prop-2-ynylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenoxy-3-(prop-2-ynylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-phenoxy-3-(prop-2-ynylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-phenoxy-3-(prop-2-ynylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-phenoxy-3-(prop-2-ynylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-phenoxy-3-(propargylamino)-5-sulfamoyl-benzoic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

C#CCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C16H14N2O5S/c1-2-8-18-13-9-11(16(19)20)10-14(24(17,21)22)15(13)23-12-6-4-3-5-7-12/h1,3-7,9-10,18H,8H2,(H,19,20)(H2,17,21,22)