N-methyl-3-[2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyethanoylamino]benzamide

Systemtic Name: N-methyl-3-[2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyethanoylamino]benzamide Openeye Name: N-methyl-3-[[2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxyacetyl]amino]benzamide CAS Name: N-methyl-3-[[2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]-1-oxoethyl]amino]benzamide IUPAC Name: N-methyl-3-[[2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetyl]amino]benzamide Traditional Name: N-methyl-3-[[2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxyacetyl]amino]benzamide Formula: C22H26N6O5S MolecularWeight: 486.54404

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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)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O5S/c1-15-5-4-10-27(13-15)34(31,32)18-8-9-19-20(12-18)28(26-25-19)33-14-21(29)24-17-7-3-6-16(11-17)22(30)23-2/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3,(H,23,30)(H,24,29)/t15-/m0/s1