2-[(5-acetamido-2-methoxy-phenyl)-(phenylmethyl)amino]ethanesulfonic acid

Systemtic Name: 2-[(5-acetamido-2-methoxy-phenyl)-(phenylmethyl)amino]ethanesulfonic acid Openeye Name: 2-(5-acetamido-N-benzyl-2-methoxy-anilino)ethanesulfonic acid CAS Name: 2-(5-acetamido-2-methoxy-N-(phenylmethyl)anilino)ethanesulfonic acid IUPAC Name: 2-(5-acetamido-N-benzyl-2-methoxyanilino)ethanesulfonic acid Traditional Name: 2-(5-acetamido-N-benzyl-2-methoxy-anilino)ethanesulfonic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)N(CCS(=O)(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)N(CCS(=O)(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O5S/c1-14(21)19-16-8-9-18(25-2)17(12-16)20(10-11-26(22,23)24)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,21)(H,22,23,24)