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

Systemtic Name: 5-[5-[(2-cyanoethylamino)methyl]-2-fluoranyl-phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Openeye Name: 5-[5-[(2-cyanoethylamino)methyl]-2-fluoro-phenyl]-3-(1-ethylsulfonyl-4-piperidyl)-1H-indole-7-carboxamide CAS Name: 5-[5-[(2-cyanoethylamino)methyl]-2-fluorophenyl]-3-(1-ethylsulfonyl-4-piperidinyl)-1H-indole-7-carboxamide IUPAC Name: 5-[5-[(2-cyanoethylamino)methyl]-2-fluorophenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Traditional Name: 5-[5-[(2-cyanoethylamino)methyl]-2-fluoro-phenyl]-3-(1-esyl-4-piperidyl)-1H-indole-7-carboxamide Formula: C26H30FN5O3S MolecularWeight: 511.611503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30FN5O3S/c1-2-36(34,35)32-10-6-18(7-11-32)23-16-31-25-21(23)13-19(14-22(25)26(29)33)20-12-17(4-5-24(20)27)15-30-9-3-8-28/h4-5,12-14,16,18,30-31H,2-3,6-7,9-11,15H2,1H3,(H2,29,33)