(2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)cyclohexan-1-one

Systemtic Name: (2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)cyclohexan-1-one Openeye Name: (2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)cyclohexanone CAS Name: (2S)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-cyclohexanone IUPAC Name: (2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)cyclohexan-1-one Traditional Name: (2S)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)cyclohexanone Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6S/c19-14-5-1-2-6-16(14)24-15-8-7-12(11-13(15)18(20)21)25(22,23)17-9-3-4-10-17/h7-8,11,16H,1-6,9-10H2/t16-/m0/s1