(6-imidazol-1-ylpyridin-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-imidazol-1-ylpyridin-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(6-imidazol-1-yl-3-pyridyl)methanone CAS Name: [6-(1-imidazolyl)-3-pyridinyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(6-imidazol-1-ylpyridin-3-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(6-imidazol-1-yl-3-pyridyl)methanone Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN=C(C=C2)N3C=CN=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN=C(C=C2)N3C=CN=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3S/c26-20(18-6-7-19(22-14-18)24-9-8-21-16-24)23-10-12-25(13-11-23)29(27,28)15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2