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

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methyl-2-nitro-aniline Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(2-furylmethyl)-N-methyl-2-nitro-aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-(2-furanylmethyl)-N-methyl-2-nitroaniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methyl-2-nitroaniline Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-(2-furfuryl)-methyl-amine Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=CO3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=CO3)[N+](=O)[O-])C

InChI

InChI=1S/C19H25N3O5S/c1-14-9-15(2)12-21(11-14)28(25,26)17-6-7-18(19(10-17)22(23)24)20(3)13-16-5-4-8-27-16/h4-8,10,14-15H,9,11-13H2,1-3H3/t14-,15-/m1/s1