4-[(3,4-dimethoxyphenyl)methylamino]butane-1-sulfonic acid

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methylamino]butane-1-sulfonic acid Openeye Name: 4-[(3,4-dimethoxyphenyl)methylamino]butane-1-sulfonic acid CAS Name: 4-[(3,4-dimethoxyphenyl)methylamino]-1-butanesulfonic acid IUPAC Name: 4-[(3,4-dimethoxyphenyl)methylamino]butane-1-sulfonic acid Traditional Name: 4-(veratrylamino)butane-1-sulfonic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCCCS(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCCCS(=O)(=O)O)OC

InChI

InChI=1S/C13H21NO5S/c1-18-12-6-5-11(9-13(12)19-2)10-14-7-3-4-8-20(15,16)17/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,15,16,17)