2-[4-[2-[(3-fluorophenyl)methyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(3-fluorophenyl)methyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(3-fluorophenyl)methyl-methyl-amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(3-fluorophenyl)methyl-methylamino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(3-fluorobenzyl)-methyl-amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H23FN4O3S MolecularWeight: 430.495723

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H23FN4O3S/c1-24(15-17-5-4-7-19(22)13-17)16-21(27)25-9-11-26(12-10-25)30(28,29)20-8-3-2-6-18(20)14-23/h2-8,13H,9-12,15-16H2,1H3