4-[(4-methylsulfonylphenyl)methylamino]benzenesulfonic acid

Systemtic Name: 4-[(4-methylsulfonylphenyl)methylamino]benzenesulfonic acid Openeye Name: 4-[(4-methylsulfonylphenyl)methylamino]benzenesulfonic acid CAS Name: 4-[(4-methylsulfonylphenyl)methylamino]benzenesulfonic acid IUPAC Name: 4-[(4-methylsulfonylphenyl)methylamino]benzenesulfonic acid Traditional Name: 4-[(4-mesylbenzyl)amino]besylic acid Formula: C14H15NO5S2 MolecularWeight: 341.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5S2/c1-21(16,17)13-6-2-11(3-7-13)10-15-12-4-8-14(9-5-12)22(18,19)20/h2-9,15H,10H2,1H3,(H,18,19,20)