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

Systemtic Name: N-(4-cyanophenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide Openeye Name: N-(4-cyanophenyl)-2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-acetamide CAS Name: N-(4-cyanophenyl)-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide Traditional Name: N-(4-cyanophenyl)-2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-acetamide Formula: C21H22N6O4S MolecularWeight: 454.50218

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O4S/c1-15-3-2-10-26(13-15)32(29,30)18-8-9-19-20(11-18)27(25-24-19)31-14-21(28)23-17-6-4-16(12-22)5-7-17/h4-9,11,15H,2-3,10,13-14H2,1H3,(H,23,28)/t15-/m0/s1