N-[(2S)-5-methylhexan-2-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O6S/c1-14(2)6-7-15(3)20-19(23)13-28-18-9-8-16(12-17(18)22(24)25)29(26,27)21-10-4-5-11-21/h8-9,12,14-15H,4-7,10-11,13H2,1-3H3,(H,20,23)/t15-/m0/s1