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

Systemtic Name: O-(phenylmethyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate Openeye Name: O-benzyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-thiobenzoic acid O-benzyl ester Formula: C24H26N2O4S2 MolecularWeight: 470.60424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=S)OCC2=CC=CC=C2)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=S)OCC2=CC=CC=C2)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O4S2/c1-2-3-14-26-21-15-19(24(31)29-17-18-10-6-4-7-11-18)16-22(32(25,27)28)23(21)30-20-12-8-5-9-13-20/h4-13,15-16,26H,2-3,14,17H2,1H3,(H2,25,27,28)