3-[[1-hydroxyethyl-(3-methylphenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[1-hydroxyethyl-(3-methylphenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[[N-(1-hydroxyethyl)-3-methyl-anilino]methyl]benzenesulfonic acid CAS Name: 3-[[N-(1-hydroxyethyl)-3-methylanilino]methyl]benzenesulfonic acid IUPAC Name: 3-[[N-(1-hydroxyethyl)-3-methylanilino]methyl]benzenesulfonic acid Traditional Name: 3-[[N-(1-hydroxyethyl)-3-methyl-anilino]methyl]besylic acid Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC(=CC=C2)S(=O)(=O)O)C(C)O

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC(=CC=C2)S(=O)(=O)O)C(C)O

InChI

InChI=1S/C16H19NO4S/c1-12-5-3-7-15(9-12)17(13(2)18)11-14-6-4-8-16(10-14)22(19,20)21/h3-10,13,18H,11H2,1-2H3,(H,19,20,21)