4-phenoxy-3-prop-2-ynylsulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenoxy-3-prop-2-ynylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 4-phenoxy-3-prop-2-ynylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 4-phenoxy-3-(prop-2-ynylthio)-5-sulfamoylbenzoic acid IUPAC Name: 4-phenoxy-3-prop-2-ynylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 4-phenoxy-3-(propargylthio)-5-sulfamoyl-benzoic acid Formula: C16H13NO5S2 MolecularWeight: 363.40812

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

C#CCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C16H13NO5S2/c1-2-8-23-13-9-11(16(18)19)10-14(24(17,20)21)15(13)22-12-6-4-3-5-7-12/h1,3-7,9-10H,8H2,(H,18,19)(H2,17,20,21)