2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-guanidine

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-guanidine Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluoro-4-methoxy-phenyl)sulfonyl-guanidine CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluoro-4-methoxyphenyl)sulfonylguanidine IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluoro-4-methoxyphenyl)sulfonylguanidine Traditional Name: 1-(3-fluoro-4-methoxy-phenyl)sulfonyl-2-homoveratryl-guanidine Formula: C18H22FN3O5S MolecularWeight: 411.447783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC(=C(C=C2)OC)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC(=C(C=C2)OC)F)OC

InChI

InChI=1S/C18H22FN3O5S/c1-25-15-7-5-13(11-14(15)19)28(23,24)22-18(20)21-9-8-12-4-6-16(26-2)17(10-12)27-3/h4-7,10-11H,8-9H2,1-3H3,(H3,20,21,22)