4-[[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxymethyl]-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 4-[[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxymethyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[6-[(3-methyl-1-piperidyl)sulfonyl]benzotriazol-1-yl]oxymethyl]-2-(2-thienyl)oxazole CAS Name: 4-[[6-[(3-methyl-1-piperidinyl)sulfonyl]-1-benzotriazolyl]oxymethyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxymethyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[6-(3-methylpiperidino)sulfonylbenzotriazol-1-yl]oxymethyl]-2-(2-thienyl)oxazole Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=COC(=N4)C5=CC=CS5

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C20H21N5O4S2/c1-14-4-2-8-24(11-14)31(26,27)16-6-7-17-18(10-16)25(23-22-17)29-13-15-12-28-20(21-15)19-5-3-9-30-19/h3,5-7,9-10,12,14H,2,4,8,11,13H2,1H3