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

Systemtic Name: [4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl] N,N-dimethylcarbamodithioate Openeye Name: [4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl] ester IUPAC Name: [4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl] ester Formula: C16H23N3O4S3 MolecularWeight: 417.56652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S3/c1-11-7-12(2)10-18(9-11)26(22,23)13-5-6-15(14(8-13)19(20)21)25-16(24)17(3)4/h5-6,8,11-12H,7,9-10H2,1-4H3/t11-,12-/m1/s1