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

Systemtic Name: 3-[[4-(4-azanyl-3,5-diethyl-phenyl)-2,6-diethyl-phenyl]amino]propane-1-sulfonic acid Openeye Name: 3-[4-(4-amino-3,5-diethyl-phenyl)-2,6-diethyl-anilino]propane-1-sulfonic acid CAS Name: 3-[4-(4-amino-3,5-diethylphenyl)-2,6-diethylanilino]-1-propanesulfonic acid IUPAC Name: 3-[4-(4-amino-3,5-diethylphenyl)-2,6-diethylanilino]propane-1-sulfonic acid Traditional Name: 3-[4-(4-amino-3,5-diethyl-phenyl)-2,6-diethyl-anilino]propane-1-sulfonic acid Formula: C23H34N2O3S MolecularWeight: 418.59266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N)CC)C2=CC(=C(C(=C2)CC)NCCCS(=O)(=O)O)CC

Isomeric SMILES

CCC1=CC(=CC(=C1N)CC)C2=CC(=C(C(=C2)CC)NCCCS(=O)(=O)O)CC

InChI

InChI=1S/C23H34N2O3S/c1-5-16-12-20(13-17(6-2)22(16)24)21-14-18(7-3)23(19(8-4)15-21)25-10-9-11-29(26,27)28/h12-15,25H,5-11,24H2,1-4H3,(H,26,27,28)