(2S)-N,N-diethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-phenyl-ethanamide

Systemtic Name: (2S)-N,N-diethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-phenyl-ethanamide Openeye Name: (2S)-N,N-diethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-phenyl-acetamide CAS Name: (2S)-N,N-diethyl-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-2-phenylacetamide IUPAC Name: (2S)-N,N-diethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-2-phenylacetamide Traditional Name: (2S)-N,N-diethyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-2-phenyl-acetamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-3-23(4-2)22(26)21(17-10-6-5-7-11-17)31-20-13-12-18(16-19(20)25(27)28)32(29,30)24-14-8-9-15-24/h5-7,10-13,16,21H,3-4,8-9,14-15H2,1-2H3/t21-/m0/s1