3-[2-(methylamino)ethylamino]-4-phenylsulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-[2-(methylamino)ethylamino]-4-phenylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-[2-(methylamino)ethylamino]-4-phenylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-[2-(methylamino)ethylamino]-4-(phenylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-[2-(methylamino)ethylamino]-4-phenylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-[2-(methylamino)ethylamino]-4-(phenylthio)-5-sulfamoyl-benzoic acid Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CNCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)SC2=CC=CC=C2

Isomeric SMILES

CNCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)SC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O4S2/c1-18-7-8-19-13-9-11(16(20)21)10-14(25(17,22)23)15(13)24-12-5-3-2-4-6-12/h2-6,9-10,18-19H,7-8H2,1H3,(H,20,21)(H2,17,22,23)