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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C2=CNC3=C(C=C(C=C23)C4=CC(=CC(=C4)F)CNCC(C)(C)C)C(=O)N

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C2=CNC3=C(C=C(C=C23)C4=CC(=CC(=C4)F)CNCC(C)(C)C)C(=O)N

InChI

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