1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]ethanone Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C21H29N3O4S2/c1-15-10-16(2)13-23(12-15)20(25)14-29-21-22-18-11-17(6-7-19(18)28-21)30(26,27)24-8-4-3-5-9-24/h6-7,11,15-16H,3-5,8-10,12-14H2,1-2H3/t15-,16-/m1/s1