4-[2-[ethyl-(3-methylphenyl)amino]ethoxy]benzenesulfonic acid

Systemtic Name: 4-[2-[ethyl-(3-methylphenyl)amino]ethoxy]benzenesulfonic acid Openeye Name: 4-[2-(N-ethyl-3-methyl-anilino)ethoxy]benzenesulfonic acid CAS Name: 4-[2-(N-ethyl-3-methylanilino)ethoxy]benzenesulfonic acid IUPAC Name: 4-[2-(N-ethyl-3-methylanilino)ethoxy]benzenesulfonic acid Traditional Name: 4-[2-(N-ethyl-3-methyl-anilino)ethoxy]besylic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC1=CC=C(C=C1)S(=O)(=O)O)C2=CC=CC(=C2)C

Isomeric SMILES

CCN(CCOC1=CC=C(C=C1)S(=O)(=O)O)C2=CC=CC(=C2)C

InChI

InChI=1S/C17H21NO4S/c1-3-18(15-6-4-5-14(2)13-15)11-12-22-16-7-9-17(10-8-16)23(19,20)21/h4-10,13H,3,11-12H2,1-2H3,(H,19,20,21)