N-[(1S,2S)-2-methylcyclohexyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O6S/c1-14-6-2-3-7-16(14)20-19(23)13-28-18-9-8-15(12-17(18)22(24)25)29(26,27)21-10-4-5-11-21/h8-9,12,14,16H,2-7,10-11,13H2,1H3,(H,20,23)/t14-,16-/m0/s1