4-[(3,4,5-trimethoxyphenyl)methylamino]benzenesulfonic acid

Systemtic Name: 4-[(3,4,5-trimethoxyphenyl)methylamino]benzenesulfonic acid Openeye Name: 4-[(3,4,5-trimethoxyphenyl)methylamino]benzenesulfonic acid CAS Name: 4-[(3,4,5-trimethoxyphenyl)methylamino]benzenesulfonic acid IUPAC Name: 4-[(3,4,5-trimethoxyphenyl)methylamino]benzenesulfonic acid Traditional Name: 4-[(3,4,5-trimethoxybenzyl)amino]besylic acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H19NO6S/c1-21-14-8-11(9-15(22-2)16(14)23-3)10-17-12-4-6-13(7-5-12)24(18,19)20/h4-9,17H,10H2,1-3H3,(H,18,19,20)