3-[phenethyl(phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[phenethyl(phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-phenethylanilino)propane-1-sulfonic acid CAS Name: 3-(N-phenethylanilino)-1-propanesulfonic acid IUPAC Name: 3-(N-phenethylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-phenethylanilino)propane-1-sulfonic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCCS(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCCS(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO3S/c19-22(20,21)15-7-13-18(17-10-5-2-6-11-17)14-12-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2,(H,19,20,21)