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

Systemtic Name: 2-[(5-acetamido-2-methyl-phenyl)-(phenylmethyl)amino]ethanesulfonic acid Openeye Name: 2-(5-acetamido-N-benzyl-2-methyl-anilino)ethanesulfonic acid CAS Name: 2-(5-acetamido-2-methyl-N-(phenylmethyl)anilino)ethanesulfonic acid IUPAC Name: 2-(5-acetamido-N-benzyl-2-methylanilino)ethanesulfonic acid Traditional Name: 2-(5-acetamido-N-benzyl-2-methyl-anilino)ethanesulfonic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C)N(CCS(=O)(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C)N(CCS(=O)(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O4S/c1-14-8-9-17(19-15(2)21)12-18(14)20(10-11-25(22,23)24)13-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,21)(H,22,23,24)