N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(coumaran-2-ylmethyl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H23FN2O4S MolecularWeight: 418.481723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN2O4S/c22-17-5-7-19(8-6-17)29(26,27)24-11-9-15(10-12-24)21(25)23-14-18-13-16-3-1-2-4-20(16)28-18/h1-8,15,18H,9-14H2,(H,23,25)