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

Systemtic Name: 3-[[1-methoxyethyl-(3-methylphenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[[N-(1-methoxyethyl)-3-methyl-anilino]methyl]benzenesulfonic acid CAS Name: 3-[[N-(1-methoxyethyl)-3-methylanilino]methyl]benzenesulfonic acid IUPAC Name: 3-[[N-(1-methoxyethyl)-3-methylanilino]methyl]benzenesulfonic acid Traditional Name: 3-[[N-(1-methoxyethyl)-3-methyl-anilino]methyl]besylic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4S/c1-13-6-4-8-16(10-13)18(14(2)22-3)12-15-7-5-9-17(11-15)23(19,20)21/h4-11,14H,12H2,1-3H3,(H,19,20,21)