3-[[2-(phenylmethyl)phenyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-(phenylmethyl)phenyl]amino]propane-1-sulfonic acid Openeye Name: 3-(2-benzylanilino)propane-1-sulfonic acid CAS Name: 3-[2-(phenylmethyl)anilino]-1-propanesulfonic acid IUPAC Name: 3-(2-benzylanilino)propane-1-sulfonic acid Traditional Name: 3-(2-benzylanilino)propane-1-sulfonic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NCCCS(=O)(=O)O

InChI

InChI=1S/C16H19NO3S/c18-21(19,20)12-6-11-17-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,18,19,20)