[4-(phenylmethyl)sulfonylpiperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-(phenylmethyl)sulfonylpiperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3-pyridyl)methanone CAS Name: [4-(phenylmethyl)sulfonyl-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone Traditional Name: (4-benzylsulfonylpiperazino)-(3-pyridyl)methanone Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O3S/c21-17(16-7-4-8-18-13-16)19-9-11-20(12-10-19)24(22,23)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2