1-(4-methylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one

Systemtic Name: 1-(4-methylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(p-tolyl)propan-1-one CAS Name: 1-(4-methylphenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-propanone IUPAC Name: 1-(4-methylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-1-one Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-1-(p-tolyl)propan-1-one Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-14-5-7-16(8-6-14)20(23)15(2)28-19-10-9-17(13-18(19)22(24)25)29(26,27)21-11-3-4-12-21/h5-10,13,15H,3-4,11-12H2,1-2H3