[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-[[(2S)-oxolan-2-yl]methyl]azanium

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-[[(2S)-oxolan-2-yl]methyl]azanium Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-[[(2S)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-[[(2S)-2-oxolanyl]methyl]ammonium IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium Traditional Name: [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-[[(2S)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1C[C@H](OC1)C[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H27N3O4S/c25-21(16-22-15-19-6-3-13-28-19)23-9-11-24(12-10-23)29(26,27)20-8-7-17-4-1-2-5-18(17)14-20/h1-2,4-5,7-8,14,19,22H,3,6,9-13,15-16H2/p+1/t19-/m0/s1