N-[(4-methylphenyl)methyl]-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide Openeye Name: 2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide Traditional Name: N-(4-methylbenzyl)-2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-acetamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NCC4=CC=C(C=C4)C

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NCC4=CC=C(C=C4)C

InChI

InChI=1S/C22H27N5O4S/c1-16-5-7-18(8-6-16)13-23-22(28)15-31-27-21-12-19(9-10-20(21)24-25-27)32(29,30)26-11-3-4-17(2)14-26/h5-10,12,17H,3-4,11,13-15H2,1-2H3,(H,23,28)/t17-/m0/s1