O-(3-methylbutyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate

Systemtic Name: O-(3-methylbutyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate Openeye Name: O-isopentyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioic acid O-(3-methylbutyl) ester IUPAC Name: O-(3-methylbutyl) 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-thiobenzoic acid O-isoamyl ester Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S2/c1-4-5-12-24-19-14-17(22(29)27-13-11-16(2)3)15-20(30(23,25)26)21(19)28-18-9-7-6-8-10-18/h6-10,14-16,24H,4-5,11-13H2,1-3H3,(H2,23,25,26)