5-methylsulfonyl-N-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-methylsulfonyl-N-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-methylsulfonyl-N-[4-[3-(1-piperidylmethyl)phenoxy]butyl]-1H-1,2,4-triazol-3-amine CAS Name: 5-methylsulfonyl-N-[4-[3-(1-piperidinylmethyl)phenoxy]butyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-methylsulfonyl-N-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-1H-1,2,4-triazol-3-amine Traditional Name: (5-mesyl-1H-1,2,4-triazol-3-yl)-[4-[3-(piperidinomethyl)phenoxy]butyl]amine Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=NN1)NCCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=NC(=NN1)NCCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C19H29N5O3S/c1-28(25,26)19-21-18(22-23-19)20-10-3-6-13-27-17-9-7-8-16(14-17)15-24-11-4-2-5-12-24/h7-9,14H,2-6,10-13,15H2,1H3,(H2,20,21,22,23)