N-[(2S)-butan-2-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O6S/c1-3-12(2)17-16(20)11-25-15-7-6-13(10-14(15)19(21)22)26(23,24)18-8-4-5-9-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,17,20)/t12-/m0/s1