1-[butyl-(3,5-diethylphenyl)amino]propane-1-sulfonic acid

Systemtic Name: 1-[butyl-(3,5-diethylphenyl)amino]propane-1-sulfonic acid Openeye Name: 1-(N-butyl-3,5-diethyl-anilino)propane-1-sulfonic acid CAS Name: 1-(N-butyl-3,5-diethylanilino)-1-propanesulfonic acid IUPAC Name: 1-(N-butyl-3,5-diethylanilino)propane-1-sulfonic acid Traditional Name: 1-(N-butyl-3,5-diethyl-anilino)propane-1-sulfonic acid Formula: C17H29NO3S MolecularWeight: 327.48206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC(=CC(=C1)CC)CC)C(CC)S(=O)(=O)O

Isomeric SMILES

CCCCN(C1=CC(=CC(=C1)CC)CC)C(CC)S(=O)(=O)O

InChI

InChI=1S/C17H29NO3S/c1-5-9-10-18(17(8-4)22(19,20)21)16-12-14(6-2)11-15(7-3)13-16/h11-13,17H,5-10H2,1-4H3,(H,19,20,21)