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

Systemtic Name: methyl 3-butylsulfanyl-4-(phenylmethyl)-5-sulfamoyl-benzoate Openeye Name: methyl 4-benzyl-3-butylsulfanyl-5-sulfamoyl-benzoate CAS Name: 3-(butylthio)-4-(phenylmethyl)-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-benzyl-3-butylsulfanyl-5-sulfamoylbenzoate Traditional Name: 4-benzyl-3-(butylthio)-5-sulfamoyl-benzoic acid methyl ester Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S2/c1-3-4-10-25-17-12-15(19(21)24-2)13-18(26(20,22)23)16(17)11-14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,20,22,23)