1-[4-ethoxy-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]phenyl]ethanone Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7S/c1-3-29-20-8-6-16(15(2)24)12-17(20)14-30-21-9-7-18(13-19(21)23(25)26)31(27,28)22-10-4-5-11-22/h6-9,12-13H,3-5,10-11,14H2,1-2H3