4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]butan-2-one

Systemtic Name: 4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]butan-2-one Openeye Name: 4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]butan-2-one CAS Name: 4-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]-2-butanone IUPAC Name: 4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]butan-2-one Traditional Name: 4-[4-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)phenyl]butan-2-one Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-15(23)4-5-16-6-8-17(9-7-16)28-20-11-10-18(14-19(20)22(24)25)29(26,27)21-12-2-3-13-21/h6-11,14H,2-5,12-13H2,1H3