1-[4-[5-fluoranyl-1-(2-trimethylsilylethylsulfonyl)indol-3-yl]piperidin-1-yl]sulfonyl-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-[5-fluoranyl-1-(2-trimethylsilylethylsulfonyl)indol-3-yl]piperidin-1-yl]sulfonyl-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[[4-[5-fluoro-1-(2-trimethylsilylethylsulfonyl)indol-3-yl]-1-piperidyl]sulfonyl]piperazine-2-carboxylic acid CAS Name: 1-[[4-[5-fluoro-1-(2-trimethylsilylethylsulfonyl)-3-indolyl]-1-piperidinyl]sulfonyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-[5-fluoro-1-(2-trimethylsilylethylsulfonyl)indol-3-yl]piperidin-1-yl]sulfonyl-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-[4-[5-fluoro-1-(2-trimethylsilylethylsulfonyl)indol-3-yl]piperidino]sulfonyl-piperazine-2-carboxylic acid Formula: C31H41FN4O8S2Si MolecularWeight: 708.893143

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C)CCS(=O)(=O)N1C=C(C2=C1C=CC(=C2)F)C3CCN(CC3)S(=O)(=O)N4CCN(CC4C(=O)O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C[Si](C)(C)CCS(=O)(=O)N1C=C(C2=C1C=CC(=C2)F)C3CCN(CC3)S(=O)(=O)N4CCN(CC4C(=O)O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H41FN4O8S2Si/c1-47(2,3)18-17-45(40,41)36-20-27(26-19-25(32)9-10-28(26)36)24-11-13-34(14-12-24)46(42,43)35-16-15-33(21-29(35)30(37)38)31(39)44-22-23-7-5-4-6-8-23/h4-10,19-20,24,29H,11-18,21-22H2,1-3H3,(H,37,38)