(2R)-2-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C22H28N5O6S+ MolecularWeight: 490.55262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O6S/c23-22(28)21(17-4-2-1-3-5-17)25-10-8-24(9-11-25)19-7-6-18(16-20(19)27(29)30)34(31,32)26-12-14-33-15-13-26/h1-7,16,21H,8-15H2,(H2,23,28)/p+1/t21-/m1/s1