3-[(2,5-dimethylphenyl)methylamino]benzenesulfonic acid

Systemtic Name: 3-[(2,5-dimethylphenyl)methylamino]benzenesulfonic acid Openeye Name: 3-[(2,5-dimethylphenyl)methylamino]benzenesulfonic acid CAS Name: 3-[(2,5-dimethylphenyl)methylamino]benzenesulfonic acid IUPAC Name: 3-[(2,5-dimethylphenyl)methylamino]benzenesulfonic acid Traditional Name: 3-[(2,5-dimethylbenzyl)amino]besylic acid Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CNC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CNC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C15H17NO3S/c1-11-6-7-12(2)13(8-11)10-16-14-4-3-5-15(9-14)20(17,18)19/h3-9,16H,10H2,1-2H3,(H,17,18,19)