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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide Traditional Name: N-(3,4-dimethylphenyl)-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)NC4=CC(=C(C=C4)C)C

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4=CC(=C(C=C4)C)C

InChI

InChI=1S/C22H27N5O4S/c1-15-5-4-10-26(13-15)32(29,30)19-8-9-20-21(12-19)27(25-24-20)31-14-22(28)23-18-7-6-16(2)17(3)11-18/h6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H,23,28)/t15-/m0/s1