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

Systemtic Name: O-methyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate Openeye Name: O-methyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioic acid O-methyl ester IUPAC Name: O-methyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-thiobenzoic acid O-methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S2/c1-3-4-10-20-15-11-13(18(25)23-2)12-16(26(19,21)22)17(15)24-14-8-6-5-7-9-14/h5-9,11-12,20H,3-4,10H2,1-2H3,(H2,19,21,22)