2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-1-piperidin-1-yl-ethanone Openeye Name: 2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-1-(1-piperidyl)ethanone CAS Name: 2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-1-piperidin-1-ylethanone Traditional Name: 2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-1-piperidino-ethanone Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)N4CCCCC4

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)N4CCCCC4

InChI

InChI=1S/C19H27N5O4S/c1-15-6-5-11-23(13-15)29(26,27)16-7-8-17-18(12-16)24(21-20-17)28-14-19(25)22-9-3-2-4-10-22/h7-8,12,15H,2-6,9-11,13-14H2,1H3/t15-/m0/s1