2-[ethyl(phenyl)amino]-3-propyl-benzenesulfonic acid

Systemtic Name: 2-[ethyl(phenyl)amino]-3-propyl-benzenesulfonic acid Openeye Name: 2-(N-ethylanilino)-3-propyl-benzenesulfonic acid CAS Name: 2-(N-ethylanilino)-3-propylbenzenesulfonic acid IUPAC Name: 2-(N-ethylanilino)-3-propylbenzenesulfonic acid Traditional Name: 2-(N-ethylanilino)-3-propyl-besylic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)S(=O)(=O)O)N(CC)C2=CC=CC=C2

Isomeric SMILES

CCCC1=C(C(=CC=C1)S(=O)(=O)O)N(CC)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO3S/c1-3-9-14-10-8-13-16(22(19,20)21)17(14)18(4-2)15-11-6-5-7-12-15/h5-8,10-13H,3-4,9H2,1-2H3,(H,19,20,21)