3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-fluoranyl-5-[(2-methylbutylamino)methyl]phenyl]-1H-indole-7-carboxamide

Systemtic Name: 3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-fluoranyl-5-[(2-methylbutylamino)methyl]phenyl]-1H-indole-7-carboxamide Openeye Name: 3-(1-ethylsulfonyl-4-piperidyl)-5-[3-fluoro-5-[(2-methylbutylamino)methyl]phenyl]-1H-indole-7-carboxamide CAS Name: 3-(1-ethylsulfonyl-4-piperidinyl)-5-[3-fluoro-5-[(2-methylbutylamino)methyl]phenyl]-1H-indole-7-carboxamide IUPAC Name: 3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-fluoro-5-[(2-methylbutylamino)methyl]phenyl]-1H-indole-7-carboxamide Traditional Name: 3-(1-esyl-4-piperidyl)-5-[3-fluoro-5-[(2-methylbutylamino)methyl]phenyl]-1H-indole-7-carboxamide Formula: C28H37FN4O3S MolecularWeight: 528.681783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNCC1=CC(=CC(=C1)C2=CC(=C3C(=C2)C(=CN3)C4CCN(CC4)S(=O)(=O)CC)C(=O)N)F

Isomeric SMILES

CCC(C)CNCC1=CC(=CC(=C1)C2=CC(=C3C(=C2)C(=CN3)C4CCN(CC4)S(=O)(=O)CC)C(=O)N)F

InChI

InChI=1S/C28H37FN4O3S/c1-4-18(3)15-31-16-19-10-21(12-23(29)11-19)22-13-24-26(17-32-27(24)25(14-22)28(30)34)20-6-8-33(9-7-20)37(35,36)5-2/h10-14,17-18,20,31-32H,4-9,15-16H2,1-3H3,(H2,30,34)