(2R)-N-(4-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N-(4-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2R)-N-(4-methylphenyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-N-(4-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide Formula: C25H27N4O5S+ MolecularWeight: 495.57068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O5S/c1-19-11-13-21(14-12-19)26-25(30)24(20-7-3-2-4-8-20)27-15-17-28(18-16-27)35(33,34)23-10-6-5-9-22(23)29(31)32/h2-14,24H,15-18H2,1H3,(H,26,30)/p+1/t24-/m1/s1