1-[[4-(4-azanyl-3,5-dimethyl-phenyl)-2,6-dimethyl-phenyl]amino]propane-1-sulfonic acid

Systemtic Name: 1-[[4-(4-azanyl-3,5-dimethyl-phenyl)-2,6-dimethyl-phenyl]amino]propane-1-sulfonic acid Openeye Name: 1-[4-(4-amino-3,5-dimethyl-phenyl)-2,6-dimethyl-anilino]propane-1-sulfonic acid CAS Name: 1-[4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylanilino]-1-propanesulfonic acid IUPAC Name: 1-[4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylanilino]propane-1-sulfonic acid Traditional Name: 1-[4-(4-amino-3,5-dimethyl-phenyl)-2,6-dimethyl-anilino]propane-1-sulfonic acid Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=C(C=C(C=C1C)C2=CC(=C(C(=C2)C)N)C)C)S(=O)(=O)O

Isomeric SMILES

CCC(NC1=C(C=C(C=C1C)C2=CC(=C(C(=C2)C)N)C)C)S(=O)(=O)O

InChI

InChI=1S/C19H26N2O3S/c1-6-17(25(22,23)24)21-19-13(4)9-16(10-14(19)5)15-7-11(2)18(20)12(3)8-15/h7-10,17,21H,6,20H2,1-5H3,(H,22,23,24)