4-[2-(3-methoxy-4-oxidanyl-phenyl)ethylamino]benzenesulfonic acid

Systemtic Name: 4-[2-(3-methoxy-4-oxidanyl-phenyl)ethylamino]benzenesulfonic acid Openeye Name: 4-[2-(4-hydroxy-3-methoxy-phenyl)ethylamino]benzenesulfonic acid CAS Name: 4-[2-(4-hydroxy-3-methoxyphenyl)ethylamino]benzenesulfonic acid IUPAC Name: 4-[2-(4-hydroxy-3-methoxyphenyl)ethylamino]benzenesulfonic acid Traditional Name: 4-(homovanillylamino)besylic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC2=CC=C(C=C2)S(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC2=CC=C(C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C15H17NO5S/c1-21-15-10-11(2-7-14(15)17)8-9-16-12-3-5-13(6-4-12)22(18,19)20/h2-7,10,16-17H,8-9H2,1H3,(H,18,19,20)