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

Systemtic Name: (2R)-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C22H28N5O5S+ MolecularWeight: 474.55322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)[C@H](C4=CC=CC=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O5S/c23-22(28)21(17-6-2-1-3-7-17)25-14-12-24(13-15-25)19-9-8-18(16-20(19)27(29)30)33(31,32)26-10-4-5-11-26/h1-3,6-9,16,21H,4-5,10-15H2,(H2,23,28)/p+1/t21-/m1/s1