N-tert-butyl-2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]ethanamide

Systemtic Name: N-tert-butyl-2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]ethanamide Openeye Name: N-tert-butyl-2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-anilino]acetamide CAS Name: N-tert-butyl-2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitroanilino]acetamide IUPAC Name: N-tert-butyl-2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitroanilino]acetamide Traditional Name: N-tert-butyl-2-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-anilino]acetamide Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O5S/c1-13-8-14(2)12-22(11-13)29(27,28)15-6-7-16(17(9-15)23(25)26)20-10-18(24)21-19(3,4)5/h6-7,9,13-14,20H,8,10-12H2,1-5H3,(H,21,24)/t13-,14-/m1/s1