(2S)-2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-2-[4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C19H23N4O5S+ MolecularWeight: 419.47472

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-29(27,28)15-7-8-16(17(13-15)23(25)26)21-9-11-22(12-10-21)18(19(20)24)14-5-3-2-4-6-14/h2-8,13,18H,9-12H2,1H3,(H2,20,24)/p+1/t18-/m0/s1