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

Systemtic Name: tert-butyl N-[3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(azepan-1-ylsulfonyl)piperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C18H34N4O5S MolecularWeight: 418.55136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H34N4O5S/c1-18(2,3)27-17(24)19-9-8-16(23)20-12-14-22(15-13-20)28(25,26)21-10-6-4-5-7-11-21/h4-15H2,1-3H3,(H,19,24)