N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-nitro-benzamide

Systemtic Name: N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-nitro-benzamide Openeye Name: N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-2-nitro-benzamide CAS Name: N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-nitrobenzamide Traditional Name: N-[4-[(2S,6S)-2,6-dimethylpiperidino]sulfonylphenyl]-2-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H23N3O5S/c1-14-6-5-7-15(2)22(14)29(27,28)17-12-10-16(11-13-17)21-20(24)18-8-3-4-9-19(18)23(25)26/h3-4,8-15H,5-7H2,1-2H3,(H,21,24)/t14-,15-/m0/s1