4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-methoxy-2-nitro-phenyl)benzamide

Systemtic Name: 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-methoxy-2-nitro-phenyl)benzamide Openeye Name: 4-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(4-methoxy-2-nitro-phenyl)benzamide CAS Name: 4-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-(4-methoxy-2-nitrophenyl)benzamide IUPAC Name: 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-methoxy-2-nitrophenyl)benzamide Traditional Name: 4-[(3R,5S)-3,5-dimethylpiperidino]sulfonyl-N-(4-methoxy-2-nitro-phenyl)benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-14-10-15(2)13-23(12-14)31(28,29)18-7-4-16(5-8-18)21(25)22-19-9-6-17(30-3)11-20(19)24(26)27/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,22,25)/t14-,15+