3-[[(2-ethyl-3-methyl-phenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[(2-ethyl-3-methyl-phenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[(2-ethyl-3-methyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(2-ethyl-3-methylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(2-ethyl-3-methylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(2-ethyl-3-methyl-anilino)methyl]besylic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NCC2=CC(=CC=C2)S(=O)(=O)O)C

Isomeric SMILES

CCC1=C(C=CC=C1NCC2=CC(=CC=C2)S(=O)(=O)O)C

InChI

InChI=1S/C16H19NO3S/c1-3-15-12(2)6-4-9-16(15)17-11-13-7-5-8-14(10-13)21(18,19)20/h4-10,17H,3,11H2,1-2H3,(H,18,19,20)