N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-piperidinosulfonyl-benzamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)OC

InChI

InChI=1S/C22H25N5O5S/c1-31-18-10-9-15(14-19(18)32-2)20-23-22(26-25-20)24-21(28)16-7-6-8-17(13-16)33(29,30)27-11-4-3-5-12-27/h6-10,13-14H,3-5,11-12H2,1-2H3,(H2,23,24,25,26,28)