tert-butyl N-[3-oxidanylidene-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]carbamate Openeye Name: tert-butyl N-[3-oxo-3-[4-(2-thienylsulfonyl)piperazin-1-yl]propyl]carbamate CAS Name: N-[3-oxo-3-(4-thiophen-2-ylsulfonyl-1-piperazinyl)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]carbamate Traditional Name: N-[3-keto-3-[4-(2-thienylsulfonyl)piperazino]propyl]carbamic acid tert-butyl ester Formula: C16H25N3O5S2 MolecularWeight: 403.5168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O5S2/c1-16(2,3)24-15(21)17-7-6-13(20)18-8-10-19(11-9-18)26(22,23)14-5-4-12-25-14/h4-5,12H,6-11H2,1-3H3,(H,17,21)