4-[methyl-(4-methylphenyl)amino]butane-1-sulfonic acid

Systemtic Name: 4-[methyl-(4-methylphenyl)amino]butane-1-sulfonic acid Openeye Name: 4-(N,4-dimethylanilino)butane-1-sulfonic acid CAS Name: 4-(N,4-dimethylanilino)-1-butanesulfonic acid IUPAC Name: 4-(N,4-dimethylanilino)butane-1-sulfonic acid Traditional Name: 4-(N,4-dimethylanilino)butane-1-sulfonic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(C)CCCCS(=O)(=O)O

InChI

InChI=1S/C12H19NO3S/c1-11-5-7-12(8-6-11)13(2)9-3-4-10-17(14,15)16/h5-8H,3-4,9-10H2,1-2H3,(H,14,15,16)