3-[4-(aminomethyl)-3-fluoranyl-phenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-sulfonamide

Systemtic Name: 3-[4-(aminomethyl)-3-fluoranyl-phenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-sulfonamide Openeye Name: 3-[4-(aminomethyl)-3-fluoro-phenyl]-N-[2-(methylamino)ethyl]-N-propyl-benzothiophene-2-sulfonamide CAS Name: 3-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-sulfonamide IUPAC Name: 3-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-sulfonamide Traditional Name: 3-[4-(aminomethyl)-3-fluoro-phenyl]-N-[2-(methylamino)ethyl]-N-propyl-benzothiophene-2-sulfonamide Formula: C21H26FN3O2S2 MolecularWeight: 435.578443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCNC)S(=O)(=O)C1=C(C2=CC=CC=C2S1)C3=CC(=C(C=C3)CN)F

Isomeric SMILES

CCCN(CCNC)S(=O)(=O)C1=C(C2=CC=CC=C2S1)C3=CC(=C(C=C3)CN)F

InChI

InChI=1S/C21H26FN3O2S2/c1-3-11-25(12-10-24-2)29(26,27)21-20(17-6-4-5-7-19(17)28-21)15-8-9-16(14-23)18(22)13-15/h4-9,13,24H,3,10-12,14,23H2,1-2H3