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

Systemtic Name: S-(2-morpholin-4-ylethyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate Openeye Name: S-(2-morpholinoethyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioic acid S-[2-(4-morpholinyl)ethyl] ester IUPAC Name: S-(2-morpholin-4-ylethyl) 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-thiobenzoic acid S-(2-morpholinoethyl) ester Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)SCCN2CCOCC2)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)SCCN2CCOCC2)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O5S2/c1-2-3-9-25-20-16-18(23(27)32-15-12-26-10-13-30-14-11-26)17-21(33(24,28)29)22(20)31-19-7-5-4-6-8-19/h4-8,16-17,25H,2-3,9-15H2,1H3,(H2,24,28,29)