S-(2-methylpropyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate

Systemtic Name: S-(2-methylpropyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate Openeye Name: S-isobutyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioic acid S-(2-methylpropyl) ester IUPAC Name: S-(2-methylpropyl) 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-thiobenzoic acid S-isobutyl ester Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S2/c1-4-5-11-23-18-12-16(21(24)28-14-15(2)3)13-19(29(22,25)26)20(18)27-17-9-7-6-8-10-17/h6-10,12-13,15,23H,4-5,11,14H2,1-3H3,(H2,22,25,26)