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

Systemtic Name: 4-[[4-(4-azanyl-3,5-dimethyl-phenyl)-2,6-dimethyl-phenyl]amino]butane-1-sulfonic acid Openeye Name: 4-[4-(4-amino-3,5-dimethyl-phenyl)-2,6-dimethyl-anilino]butane-1-sulfonic acid CAS Name: 4-[4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylanilino]-1-butanesulfonic acid IUPAC Name: 4-[4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylanilino]butane-1-sulfonic acid Traditional Name: 4-[4-(4-amino-3,5-dimethyl-phenyl)-2,6-dimethyl-anilino]butane-1-sulfonic acid Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/c1-13-9-17(10-14(2)19(13)21)18-11-15(3)20(16(4)12-18)22-7-5-6-8-26(23,24)25/h9-12,22H,5-8,21H2,1-4H3,(H,23,24,25)