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

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N,N-bis(2-methoxyethyl)-2-nitro-aniline Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N,N-bis(2-methoxyethyl)-2-nitro-aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N,N-bis(2-methoxyethyl)-2-nitroaniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N,N-bis(2-methoxyethyl)-2-nitroaniline Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-bis(2-methoxyethyl)amine Formula: C19H31N3O6S MolecularWeight: 429.53094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O6S/c1-15-11-16(2)14-21(13-15)29(25,26)17-5-6-18(19(12-17)22(23)24)20(7-9-27-3)8-10-28-4/h5-6,12,15-16H,7-11,13-14H2,1-4H3/t15-,16-/m1/s1