N-[3-[2-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]-2-(1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-[3-[2-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]-2-(1,2,4-triazol-1-yl)ethanamide Openeye Name: N-[3-[(2-benzyl-1-piperidyl)sulfonyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide CAS Name: N-[3-[[2-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide IUPAC Name: N-[3-(2-benzylpiperidin-1-yl)sulfonylphenyl]-2-(1,2,4-triazol-1-yl)acetamide Traditional Name: N-[3-(2-benzylpiperidino)sulfonylphenyl]-2-(1,2,4-triazol-1-yl)acetamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)NC(=O)CN4C=NC=N4

Isomeric SMILES

C1CCN(C(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)NC(=O)CN4C=NC=N4

InChI

InChI=1S/C22H25N5O3S/c28-22(15-26-17-23-16-24-26)25-19-9-6-11-21(14-19)31(29,30)27-12-5-4-10-20(27)13-18-7-2-1-3-8-18/h1-3,6-9,11,14,16-17,20H,4-5,10,12-13,15H2,(H,25,28)