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

Systemtic Name: N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]nipecotamide Formula: C21H23N5O4S MolecularWeight: 441.50342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=NN2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=NN2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O4S/c1-30-18-12-6-5-11-17(18)19-22-21(25-24-19)23-20(27)15-8-7-13-26(14-15)31(28,29)16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3,(H2,22,23,24,25,27)