N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonylamino]piperidine-4-carboxamide

Systemtic Name: N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonylamino]piperidine-4-carboxamide Openeye Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]piperidine-4-carboxamide CAS Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)-oxomethyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]piperidine-4-carboxamide Traditional Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-mesyl-6,7-dihydroisobenzothiophene-1-carbonyl)amino]isonipecotamide Formula: C26H29FN4O4S2 MolecularWeight: 544.661263

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NC3(CCNCC3)C(=O)NCCC4=CNC5=C4C=C(C=C5)F

Isomeric SMILES

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NC3(CCNCC3)C(=O)NCCC4=CNC5=C4C=C(C=C5)F

InChI

InChI=1S/C26H29FN4O4S2/c1-37(34,35)24-19-5-3-2-4-18(19)22(36-24)23(32)31-26(9-12-28-13-10-26)25(33)29-11-8-16-15-30-21-7-6-17(27)14-20(16)21/h3,5-7,14-15,28,30H,2,4,8-13H2,1H3,(H,29,33)(H,31,32)