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

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]-(4-propan-2-ylphenyl)azanium Openeye Name: [(1R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-(4-isopropylphenyl)ammonium CAS Name: [(2R)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-(4-propan-2-ylphenyl)ammonium IUPAC Name: [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-(4-propan-2-ylphenyl)azanium Traditional Name: [(1R)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl]-p-cumenyl-ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH2+]C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H29N3O3S/c1-17(2)19-9-11-20(12-10-19)23-18(3)22(26)24-13-15-25(16-14-24)29(27,28)21-7-5-4-6-8-21/h4-12,17-18,23H,13-16H2,1-3H3/p+1/t18-/m1/s1