2-methyl-5-(methylsulfonylmethyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine

Systemtic Name: 2-methyl-5-(methylsulfonylmethyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine Openeye Name: 2-methyl-5-(methylsulfonylmethyl)-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine CAS Name: 2-methyl-5-(methylsulfonylmethyl)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine IUPAC Name: 2-methyl-5-(methylsulfonylmethyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine Traditional Name: [5-(mesylmethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-[3-(piperidinomethyl)phenoxy]propyl]amine Formula: C20H31N5O3S MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)CS(=O)(=O)C)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CN1C(=NC(=N1)CS(=O)(=O)C)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C20H31N5O3S/c1-24-20(22-19(23-24)16-29(2,26)27)21-10-7-13-28-18-9-6-8-17(14-18)15-25-11-4-3-5-12-25/h6,8-9,14H,3-5,7,10-13,15-16H2,1-2H3,(H,21,22,23)