2-[(2,5-dimethoxyphenyl)-(phenylmethyl)amino]ethanesulfonic acid

Systemtic Name: 2-[(2,5-dimethoxyphenyl)-(phenylmethyl)amino]ethanesulfonic acid Openeye Name: 2-(N-benzyl-2,5-dimethoxy-anilino)ethanesulfonic acid CAS Name: 2-(2,5-dimethoxy-N-(phenylmethyl)anilino)ethanesulfonic acid IUPAC Name: 2-(N-benzyl-2,5-dimethoxyanilino)ethanesulfonic acid Traditional Name: 2-(N-benzyl-2,5-dimethoxy-anilino)ethanesulfonic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N(CCS(=O)(=O)O)CC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N(CCS(=O)(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C17H21NO5S/c1-22-15-8-9-17(23-2)16(12-15)18(10-11-24(19,20)21)13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,19,20,21)