3-(2-methylsulfanylethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(2-methylsulfanylethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-(2-methylsulfanylethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-[2-(methylthio)ethylamino]-4-(phenylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-(2-methylsulfanylethylamino)-4-phenylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-[2-(methylthio)ethylamino]-4-(phenylthio)-5-sulfamoyl-benzoic acid Formula: C16H18N2O4S3 MolecularWeight: 398.52012

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)SC2=CC=CC=C2

Isomeric SMILES

CSCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)SC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O4S3/c1-23-8-7-18-13-9-11(16(19)20)10-14(25(17,21)22)15(13)24-12-5-3-2-4-6-12/h2-6,9-10,18H,7-8H2,1H3,(H,19,20)(H2,17,21,22)