3-ethylsulfanyl-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-ethylsulfanyl-4-(phenylmethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-ethylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-(ethylthio)-4-(phenylmethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-ethylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-(ethylthio)-5-sulfamoyl-benzoic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

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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

Isomeric SMILES

CCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C16H17NO4S2/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)