2-[[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-(ethylamino)amino]-5-sulfo-benzoic acid

Systemtic Name: 2-[[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-(ethylamino)amino]-5-sulfo-benzoic acid Openeye Name: 2-[[5-(dimethylsulfamoyl)-2-methyl-anilino]-(ethylamino)amino]-5-sulfo-benzoic acid CAS Name: 2-[[5-(dimethylsulfamoyl)-2-methylanilino]-(ethylamino)amino]-5-sulfobenzoic acid IUPAC Name: 2-[[5-(dimethylsulfamoyl)-2-methylanilino]-(ethylamino)amino]-5-sulfobenzoic acid Traditional Name: 2-[[5-(dimethylsulfamoyl)-2-methyl-anilino]-(ethylamino)amino]-5-sulfo-benzoic acid Formula: C18H24N4O7S2 MolecularWeight: 472.53576

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Descriptors Computed from Structure

Canonical SMILES:

CCNN(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C

Isomeric SMILES

CCNN(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C18H24N4O7S2/c1-5-19-22(17-9-8-14(31(27,28)29)10-15(17)18(23)24)20-16-11-13(7-6-12(16)2)30(25,26)21(3)4/h6-11,19-20H,5H2,1-4H3,(H,23,24)(H,27,28,29)