4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methoxyethyl)-2-nitro-aniline

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methoxyethyl)-2-nitro-aniline Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(2-methoxyethyl)-2-nitro-aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-(2-methoxyethyl)-2-nitroaniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methoxyethyl)-2-nitroaniline Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-(2-methoxyethyl)amine Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O5S/c1-12-8-13(2)11-18(10-12)25(22,23)14-4-5-15(17-6-7-24-3)16(9-14)19(20)21/h4-5,9,12-13,17H,6-8,10-11H2,1-3H3/t12-,13-/m1/s1