2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-6-fluoro-benzonitrile Formula: C17H23FN4O2S MolecularWeight: 366.453523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C17H23FN4O2S/c18-16-6-5-7-17(15(16)14-19)20-10-12-22(13-11-20)25(23,24)21-8-3-1-2-4-9-21/h5-7H,1-4,8-13H2