3-[6-[4-(methylsulfonylmethyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[6-[4-(methylsulfonylmethyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzenecarbonitrile Openeye Name: 3-[6-[4-(methylsulfonylmethyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile CAS Name: 3-[6-[4-(methylsulfonylmethyl)-1-piperazinyl]-1,7-naphthyridin-8-yl]benzonitrile IUPAC Name: 3-[6-[4-(methylsulfonylmethyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile Traditional Name: 3-[6-[4-(mesylmethyl)piperazino]-1,7-naphthyridin-8-yl]benzonitrile Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CN1CCN(CC1)C2=NC(=C3C(=C2)C=CC=N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)CN1CCN(CC1)C2=NC(=C3C(=C2)C=CC=N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H21N5O2S/c1-29(27,28)15-25-8-10-26(11-9-25)19-13-18-6-3-7-23-20(18)21(24-19)17-5-2-4-16(12-17)14-22/h2-7,12-13H,8-11,15H2,1H3