tert-butyl N-[4-oxidanylidene-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butyl]carbamate

Systemtic Name: tert-butyl N-[4-oxidanylidene-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butyl]carbamate Openeye Name: tert-butyl N-[4-oxo-4-[4-(2-thienylsulfonyl)piperazin-1-yl]butyl]carbamate CAS Name: N-[4-oxo-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-oxo-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butyl]carbamate Traditional Name: N-[4-keto-4-[4-(2-thienylsulfonyl)piperazino]butyl]carbamic acid tert-butyl ester Formula: C17H27N3O5S2 MolecularWeight: 417.54338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O5S2/c1-17(2,3)25-16(22)18-8-4-6-14(21)19-9-11-20(12-10-19)27(23,24)15-7-5-13-26-15/h5,7,13H,4,6,8-12H2,1-3H3,(H,18,22)