2-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[6-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[6-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-1-pyrrolidin-1-ylethanone Traditional Name: 2-[6-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzotriazol-1-yl]oxy-1-pyrrolidino-ethanone Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)N4CCCC4)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)N4CCCC4)C

InChI

InChI=1S/C19H27N5O4S/c1-14-9-15(2)12-23(11-14)29(26,27)16-5-6-17-18(10-16)24(21-20-17)28-13-19(25)22-7-3-4-8-22/h5-6,10,14-15H,3-4,7-9,11-13H2,1-2H3/t14-,15-/m1/s1