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

Systemtic Name: 2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-N-phenethyl-ethanamide Openeye Name: 2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-N-phenethyl-acetamide CAS Name: 2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]-N-phenethylacetamide IUPAC Name: 2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-N-phenethylacetamide Traditional Name: 2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-N-phenethyl-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)NCCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O4S/c1-17-6-5-13-26(15-17)32(29,30)19-9-10-20-21(14-19)27(25-24-20)31-16-22(28)23-12-11-18-7-3-2-4-8-18/h2-4,7-10,14,17H,5-6,11-13,15-16H2,1H3,(H,23,28)/t17-/m0/s1