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

Systemtic Name: 1-[4-methoxy-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]phenyl]ethanone Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-14(23)15-5-7-19(28-2)16(11-15)13-29-20-8-6-17(12-18(20)22(24)25)30(26,27)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10,13H2,1-2H3