methyl 4-[2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxyacetyl]amino]benzoic acid methyl ester Formula: C22H25N5O6S MolecularWeight: 487.5288

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O6S/c1-15-4-3-11-26(13-15)34(30,31)18-9-10-19-20(12-18)27(25-24-19)33-14-21(28)23-17-7-5-16(6-8-17)22(29)32-2/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,23,28)/t15-/m0/s1