tert-butyl 4-(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(1-piperidylsulfonyl)thiophene-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-piperidinosulfonylthiophene-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H29N3O5S2 MolecularWeight: 443.58066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H29N3O5S2/c1-19(2,3)27-18(24)21-12-10-20(11-13-21)17(23)16-15(7-14-28-16)29(25,26)22-8-5-4-6-9-22/h7,14H,4-6,8-13H2,1-3H3