O-[3-(dimethylamino)propyl] 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate

Systemtic Name: O-[3-(dimethylamino)propyl] 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate Openeye Name: O-[3-(dimethylamino)propyl] 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioic acid O-[3-(dimethylamino)propyl] ester IUPAC Name: O-[3-(dimethylamino)propyl] 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-thiobenzoic acid O-[3-(dimethylamino)propyl] ester Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4S2/c1-4-5-12-24-19-15-17(22(30)28-14-9-13-25(2)3)16-20(31(23,26)27)21(19)29-18-10-7-6-8-11-18/h6-8,10-11,15-16,24H,4-5,9,12-14H2,1-3H3,(H2,23,26,27)