5-(furan-2-yl)-3-[[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxymethyl]-1,2-oxazole

Systemtic Name: 5-(furan-2-yl)-3-[[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxymethyl]-1,2-oxazole Openeye Name: 5-(2-furyl)-3-[[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxymethyl]isoxazole CAS Name: 5-(2-furanyl)-3-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxymethyl]isoxazole IUPAC Name: 5-(furan-2-yl)-3-[[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxymethyl]-1,2-oxazole Traditional Name: 5-(2-furyl)-3-[[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxymethyl]isoxazole Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=NOC(=C4)C5=CC=CO5

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=NOC(=C4)C5=CC=CO5

InChI

InChI=1S/C20H21N5O5S/c1-14-4-2-8-24(12-14)31(26,27)16-6-7-17-18(11-16)25(23-21-17)29-13-15-10-20(30-22-15)19-5-3-9-28-19/h3,5-7,9-11,14H,2,4,8,12-13H2,1H3/t14-/m0/s1