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

Systemtic Name: 5-[3-(ethylaminomethyl)-4-fluoranyl-phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Openeye Name: 5-[3-(ethylaminomethyl)-4-fluoro-phenyl]-3-(1-ethylsulfonyl-4-piperidyl)-1H-indole-7-carboxamide CAS Name: 5-[3-(ethylaminomethyl)-4-fluorophenyl]-3-(1-ethylsulfonyl-4-piperidinyl)-1H-indole-7-carboxamide IUPAC Name: 5-[3-(ethylaminomethyl)-4-fluorophenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Traditional Name: 3-(1-esyl-4-piperidyl)-5-[3-(ethylaminomethyl)-4-fluoro-phenyl]-1H-indole-7-carboxamide Formula: C25H31FN4O3S MolecularWeight: 486.602043

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)C2=CC(=C3C(=C2)C(=CN3)C4CCN(CC4)S(=O)(=O)CC)C(=O)N)F

Isomeric SMILES

CCNCC1=C(C=CC(=C1)C2=CC(=C3C(=C2)C(=CN3)C4CCN(CC4)S(=O)(=O)CC)C(=O)N)F

InChI

InChI=1S/C25H31FN4O3S/c1-3-28-14-19-11-17(5-6-23(19)26)18-12-20-22(15-29-24(20)21(13-18)25(27)31)16-7-9-30(10-8-16)34(32,33)4-2/h5-6,11-13,15-16,28-29H,3-4,7-10,14H2,1-2H3,(H2,27,31)