methyl-[(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]-(phenylmethyl)azanium Openeye Name: [(1R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [(2R)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-benzyl-methylazanium Traditional Name: benzyl-[(1R)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-18(22(2)17-19-9-5-3-6-10-19)21(25)23-13-15-24(16-14-23)28(26,27)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3/p+1/t18-/m1/s1