1-[phenethyl(phenyl)amino]propane-2-sulfonic acid

Systemtic Name: 1-[phenethyl(phenyl)amino]propane-2-sulfonic acid Openeye Name: 1-(N-phenethylanilino)propane-2-sulfonic acid CAS Name: 1-(N-phenethylanilino)-2-propanesulfonic acid IUPAC Name: 1-(N-phenethylanilino)propane-2-sulfonic acid Traditional Name: 1-(N-phenethylanilino)propane-2-sulfonic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCC1=CC=CC=C1)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(CN(CCC1=CC=CC=C1)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C17H21NO3S/c1-15(22(19,20)21)14-18(17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,19,20,21)