N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylphenyl]-2-(2-nitrophenoxy)acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-15-11-16(2)13-23(12-15)31(28,29)18-9-7-17(8-10-18)22-21(25)14-30-20-6-4-3-5-19(20)24(26)27/h3-10,15-16H,11-14H2,1-2H3,(H,22,25)/t15-,16-/m0/s1