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

Systemtic Name: [(1R)-2-methyl-1-phenyl-propyl]-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azanium Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium Traditional Name: [2-(4-besylpiperazino)-2-keto-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-18(2)22(19-9-5-3-6-10-19)23-17-21(26)24-13-15-25(16-14-24)29(27,28)20-11-7-4-8-12-20/h3-12,18,22-23H,13-17H2,1-2H3/p+1/t22-/m1/s1