4-(phenylmethyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-benzylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide CAS Name: 4-(phenylmethyl)sulfonyl-N-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-benzylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-benzylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

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