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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-acetamide Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCCC(C4)C)N=N2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCC[C@@H](C4)C)N=N2)C

InChI

InChI=1S/C23H29N5O4S/c1-4-18-9-5-8-17(3)23(18)24-22(29)15-32-28-21-13-19(10-11-20(21)25-26-28)33(30,31)27-12-6-7-16(2)14-27/h5,8-11,13,16H,4,6-7,12,14-15H2,1-3H3,(H,24,29)/t16-/m0/s1