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

Systemtic Name: N-(3-methoxyphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-acetamide CAS Name: N-(3-methoxyphenyl)-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide Traditional Name: N-(3-methoxyphenyl)-2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-acetamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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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(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O5S/c1-15-5-4-10-25(13-15)32(28,29)18-8-9-19-20(12-18)26(24-23-19)31-14-21(27)22-16-6-3-7-17(11-16)30-2/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3,(H,22,27)/t15-/m0/s1