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

Systemtic Name: N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[4-[(2S,6S)-2,6-dimethylpiperidino]sulfonylphenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O5S2/c1-15-4-3-5-16(2)23(15)31(28,29)20-12-6-17(7-13-20)22-21(25)14-30-19-10-8-18(9-11-19)24(26)27/h6-13,15-16H,3-5,14H2,1-2H3,(H,22,25)/t15-,16-/m0/s1