(3S)-1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]nipecotamide Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@@H](C3)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C19H28N4O5S/c1-13-8-14(2)11-22(10-13)29(27,28)16-5-6-17(18(9-16)23(25)26)21-7-3-4-15(12-21)19(20)24/h5-6,9,13-15H,3-4,7-8,10-12H2,1-2H3,(H2,20,24)/t13-,14-,15+/m1/s1