tert-butyl 4-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[5-(1-piperidylsulfonyl)-2-thienyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(5-piperidinosulfonyl-2-thienyl)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H31N3O5S2/c1-20(2,3)28-19(25)22-13-11-21(12-14-22)17(24)15-16-7-8-18(29-16)30(26,27)23-9-5-4-6-10-23/h7-8H,4-6,9-15H2,1-3H3