(2R)-3-(4-methylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanenitrile

Systemtic Name: (2R)-3-(4-methylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanenitrile Openeye Name: (2R)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanenitrile Traditional Name: (2R)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-3-(p-tolyl)propionitrile Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-15-4-6-16(7-5-15)12-17(14-21)28-20-9-8-18(13-19(20)23(24)25)29(26,27)22-10-2-3-11-22/h4-9,13,17H,2-3,10-12H2,1H3/t17-/m1/s1