[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-keto-2-(4-tosylpiperazino)ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH2+]C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH2+][C@H](C)C3=CC=CC=C3

InChI

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