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

Systemtic Name: sodium 4-(phenylmethyl)-3-propylsulfanyl-5-sulfamoyl-benzoate Openeye Name: sodium 4-benzyl-3-propylsulfanyl-5-sulfamoyl-benzoate CAS Name: sodium 4-(phenylmethyl)-3-(propylthio)-5-sulfamoylbenzoate IUPAC Name: sodium 4-benzyl-3-propylsulfanyl-5-sulfamoylbenzoate Traditional Name: sodium 4-benzyl-3-(propylthio)-5-sulfamoyl-benzoate Formula: C17H18NNaO4S2 MolecularWeight: 387.44889

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N)CC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCSC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N)CC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C17H19NO4S2.Na/c1-2-8-23-15-10-13(17(19)20)11-16(24(18,21)22)14(15)9-12-6-4-3-5-7-12;/h3-7,10-11H,2,8-9H2,1H3,(H,19,20)(H2,18,21,22);/q;+1/p-1