N-[(2-methoxyphenyl)methyl]-4-nitro-N-[(2S,3S)-6-oxidanylidene-2-phenyl-piperidin-3-yl]benzenesulfonamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-4-nitro-N-[(2S,3S)-6-oxidanylidene-2-phenyl-piperidin-3-yl]benzenesulfonamide Openeye Name: N-[(2-methoxyphenyl)methyl]-4-nitro-N-[(2S,3S)-6-oxo-2-phenyl-3-piperidyl]benzenesulfonamide CAS Name: N-[(2-methoxyphenyl)methyl]-4-nitro-N-[(2S,3S)-6-oxo-2-phenyl-3-piperidinyl]benzenesulfonamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-4-nitro-N-[(2S,3S)-6-oxo-2-phenylpiperidin-3-yl]benzenesulfonamide Traditional Name: N-[(2S,3S)-6-keto-2-phenyl-3-piperidyl]-4-nitro-N-o-anisyl-benzenesulfonamide Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(C2CCC(=O)NC2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CN([C@H]2CCC(=O)N[C@H]2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O6S/c1-34-23-10-6-5-9-19(23)17-27(35(32,33)21-13-11-20(12-14-21)28(30)31)22-15-16-24(29)26-25(22)18-7-3-2-4-8-18/h2-14,22,25H,15-17H2,1H3,(H,26,29)/t22-,25-/m0/s1