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

Systemtic Name: 2-[(2,5-diethoxyphenyl)-(phenylmethyl)amino]ethanesulfonic acid Openeye Name: 2-(N-benzyl-2,5-diethoxy-anilino)ethanesulfonic acid CAS Name: 2-(2,5-diethoxy-N-(phenylmethyl)anilino)ethanesulfonic acid IUPAC Name: 2-(N-benzyl-2,5-diethoxyanilino)ethanesulfonic acid Traditional Name: 2-(N-benzyl-2,5-diethoxy-anilino)ethanesulfonic acid Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)N(CCS(=O)(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)N(CCS(=O)(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C19H25NO5S/c1-3-24-17-10-11-19(25-4-2)18(14-17)20(12-13-26(21,22)23)15-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,21,22,23)