3-(2-cyanoethyl)-4-phenoxy-5-sulfamoyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)CCC#N

InChI

InChI=1S/C16H14N2O5S/c17-8-4-5-11-9-12(16(19)20)10-14(24(18,21)22)15(11)23-13-6-2-1-3-7-13/h1-3,6-7,9-10H,4-5H2,(H,19,20)(H2,18,21,22)