[(1R)-2-methyl-1-phenyl-propyl]-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]azanium

Systemtic Name: [(1R)-2-methyl-1-phenyl-propyl]-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]azanium Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]ammonium IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium Traditional Name: [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C1=CC=CC=C1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-19(2)23(21-11-7-4-8-12-21)24-17-22(27)25-13-15-26(16-14-25)30(28,29)18-20-9-5-3-6-10-20/h3-12,19,23-24H,13-18H2,1-2H3/p+1/t23-/m1/s1