tert-butyl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]azanium

Systemtic Name: tert-butyl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]azanium Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-tert-butyl-ammonium CAS Name: tert-butyl-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]ammonium IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-tert-butylazanium Traditional Name: [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-tert-butyl-ammonium Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[NH2+]CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N3O3S/c1-17(2,3)18-13-16(21)19-9-11-20(12-10-19)24(22,23)14-15-7-5-4-6-8-15/h4-8,18H,9-14H2,1-3H3/p+1