sodium 3-ethylsulfanyl-4-(phenylmethyl)-5-sulfamoyl-benzoate

Systemtic Name: sodium 3-ethylsulfanyl-4-(phenylmethyl)-5-sulfamoyl-benzoate Openeye Name: sodium 4-benzyl-3-ethylsulfanyl-5-sulfamoyl-benzoate CAS Name: sodium 3-(ethylthio)-4-(phenylmethyl)-5-sulfamoylbenzoate IUPAC Name: sodium 4-benzyl-3-ethylsulfanyl-5-sulfamoylbenzoate Traditional Name: sodium 4-benzyl-3-(ethylthio)-5-sulfamoyl-benzoate Formula: C16H16NNaO4S2 MolecularWeight: 373.42231

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N)CC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCSC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N)CC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C16H17NO4S2.Na/c1-2-22-14-9-12(16(18)19)10-15(23(17,20)21)13(14)8-11-6-4-3-5-7-11;/h3-7,9-10H,2,8H2,1H3,(H,18,19)(H2,17,20,21);/q;+1/p-1