2-[(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-fluoro-5-morpholinosulfonyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[2-fluoro-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-fluoro-5-morpholinosulfonyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H22FN3O5S2 MolecularWeight: 467.534183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F)C(=O)N

InChI

InChI=1S/C20H22FN3O5S2/c21-15-6-5-12(31(27,28)24-7-9-29-10-8-24)11-14(15)19(26)23-20-17(18(22)25)13-3-1-2-4-16(13)30-20/h5-6,11H,1-4,7-10H2,(H2,22,25)(H,23,26)