N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[4-[(2S,6S)-2,6-dimethylpiperidino]sulfonylphenyl]-2-(2-nitrophenoxy)acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C

InChI

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