ethyl 3-butylsulfanyl-4-(phenylmethyl)-5-sulfamoyl-benzoate

Systemtic Name: ethyl 3-butylsulfanyl-4-(phenylmethyl)-5-sulfamoyl-benzoate Openeye Name: ethyl 4-benzyl-3-butylsulfanyl-5-sulfamoyl-benzoate CAS Name: 3-(butylthio)-4-(phenylmethyl)-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 4-benzyl-3-butylsulfanyl-5-sulfamoylbenzoate Traditional Name: 4-benzyl-3-(butylthio)-5-sulfamoyl-benzoic acid ethyl ester Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=CC(=C1)C(=O)OCC)S(=O)(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CCCCSC1=C(C(=CC(=C1)C(=O)OCC)S(=O)(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C20H25NO4S2/c1-3-5-11-26-18-13-16(20(22)25-4-2)14-19(27(21,23)24)17(18)12-15-9-7-6-8-10-15/h6-10,13-14H,3-5,11-12H2,1-2H3,(H2,21,23,24)