3-(butanoylamino)-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(butanoylamino)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(butanoylamino)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-(1-oxobutylamino)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(butanoylamino)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-butyramido-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O6S/c1-2-6-15(20)19-13-9-11(17(21)22)10-14(26(18,23)24)16(13)25-12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3,(H,19,20)(H,21,22)(H2,18,23,24)