3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioic S-acid

Systemtic Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioic S-acid Openeye Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioic S-acid CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioic S-acid IUPAC Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioic S-acid Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-thiobenzoic acid Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O4S2/c1-2-3-9-19-14-10-12(17(20)24)11-15(25(18,21)22)16(14)23-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,24)(H2,18,21,22)