tert-butyl 4-[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-indol-5-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-indol-5-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(7-cyano-2-naphthyl)-1-ethylsulfonyl-indol-5-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[2-(7-cyano-2-naphthalenyl)-1-ethylsulfonyl-5-indolyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonylindol-5-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[2-(7-cyano-2-naphthyl)-1-esyl-indol-5-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C2=C(C=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)C=C1C4=CC5=C(C=CC(=C5)C#N)C=C4

Isomeric SMILES

CCS(=O)(=O)N1C2=C(C=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)C=C1C4=CC5=C(C=CC(=C5)C#N)C=C4

InChI

InChI=1S/C31H33N3O5S/c1-5-40(36,37)34-28-11-10-27(38-26-12-14-33(15-13-26)30(35)39-31(2,3)4)18-25(28)19-29(34)23-9-8-22-7-6-21(20-32)16-24(22)17-23/h6-11,16-19,26H,5,12-15H2,1-4H3