N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]triazole-4-carboxamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)triazole-4-carboxamide Traditional Name: 1-benzyl-N-(2-methoxy-5-piperidinosulfonyl-phenyl)triazole-4-carboxamide Formula: C22H25N5O4S MolecularWeight: 455.53

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O4S/c1-31-21-11-10-18(32(29,30)27-12-6-3-7-13-27)14-19(21)23-22(28)20-16-26(25-24-20)15-17-8-4-2-5-9-17/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3,(H,23,28)