N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propylsulfonyl-nipecotamide Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=NNC(=N2)C3=CC=CC=C3OC

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=NNC(=N2)C3=CC=CC=C3OC

InChI

InChI=1S/C18H25N5O4S/c1-3-11-28(25,26)23-10-6-7-13(12-23)17(24)20-18-19-16(21-22-18)14-8-4-5-9-15(14)27-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H2,19,20,21,22,24)