tert-butyl N-[3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propyl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propyl]carbamate Openeye Name: tert-butyl N-[3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-propyl]carbamate CAS Name: N-[3-oxo-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-benzylsulfonylpiperazin-1-yl)-3-oxopropyl]carbamate Traditional Name: N-[3-(4-benzylsulfonylpiperazino)-3-keto-propyl]carbamic acid tert-butyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O5S/c1-19(2,3)27-18(24)20-10-9-17(23)21-11-13-22(14-12-21)28(25,26)15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,20,24)