tert-butyl N-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(benzenesulfonyl)-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-(4-besylpiperazino)-3-keto-propyl]carbamic acid tert-butyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-18(2,3)26-17(23)19-10-9-16(22)20-11-13-21(14-12-20)27(24,25)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,23)