1-(2-azanyl-1-oxidanyl-ethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl-sulfino-amino]-2-oxidanyl-benzene

Systemtic Name: 1-(2-azanyl-1-oxidanyl-ethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl-sulfino-amino]-2-oxidanyl-benzene Openeye Name: 1-(2-amino-1-hydroxy-ethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl-sulfino-amino]-2-hydroxy-benzene CAS Name: 1-(2-amino-1-hydroxyethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl-sulfinoamino]-2-hydroxybenzene IUPAC Name: 1-(2-amino-1-hydroxyethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl-sulfinoamino]-2-hydroxybenzene Traditional Name: 1-(2-amino-1-hydroxy-ethyl)-3-[homoveratryl(sulfino)amino]-2-hydroxy-benzene Formula: C18H24N2O6S MolecularWeight: 396.45796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(C2=CC=CC(=C2O)C(CN)O)S(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(C2=CC=CC(=C2O)C(CN)O)S(=O)O)OC

InChI

InChI=1S/C18H24N2O6S/c1-25-16-7-6-12(10-17(16)26-2)8-9-20(27(23)24)14-5-3-4-13(18(14)22)15(21)11-19/h3-7,10,15,21-22H,8-9,11,19H2,1-2H3,(H,23,24)