S-octyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate

Systemtic Name: S-octyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate Openeye Name: S-octyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioic acid S-octyl ester IUPAC Name: S-octyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-thiobenzoic acid S-octyl ester Formula: C25H36N2O4S2 MolecularWeight: 492.69434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)NCCCC

Isomeric SMILES

CCCCCCCCSC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)NCCCC

InChI

InChI=1S/C25H36N2O4S2/c1-3-5-7-8-9-13-17-32-25(28)20-18-22(27-16-6-4-2)24(23(19-20)33(26,29)30)31-21-14-11-10-12-15-21/h10-12,14-15,18-19,27H,3-9,13,16-17H2,1-2H3,(H2,26,29,30)