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

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-(3-propan-2-yloxypropyl)aniline Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(3-isopropoxypropyl)-2-nitro-aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitro-N-(3-propan-2-yloxypropyl)aniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-(3-propan-2-yloxypropyl)aniline Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-(3-isopropoxypropyl)amine Formula: C19H31N3O5S MolecularWeight: 413.53154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O5S/c1-14(2)27-9-5-8-20-18-7-6-17(11-19(18)22(23)24)28(25,26)21-12-15(3)10-16(4)13-21/h6-7,11,14-16,20H,5,8-10,12-13H2,1-4H3/t15-,16-/m1/s1