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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)NCCCS(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)NCCCS(=O)(=O)O)C

InChI

InChI=1S/C19H26N2O3S/c1-12-8-16(9-13(2)18(12)20)17-10-14(3)19(15(4)11-17)21-6-5-7-25(22,23)24/h8-11,21H,5-7,20H2,1-4H3,(H,22,23,24)