tert-butyl 4-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-thienylsulfonyl)piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[1-(2-thienylsulfonyl)nipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H29N3O5S2 MolecularWeight: 443.58066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H29N3O5S2/c1-19(2,3)27-18(24)21-11-9-20(10-12-21)17(23)15-6-4-8-22(14-15)29(25,26)16-7-5-13-28-16/h5,7,13,15H,4,6,8-12,14H2,1-3H3