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

Systemtic Name: 2-[4-[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C24H23FN4O3S2 MolecularWeight: 498.592823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC(C2=CC=C(C=C2)F)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CNC(C2=CC=C(C=C2)F)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H23FN4O3S2/c25-20-9-7-18(8-10-20)24(21-5-3-15-33-21)27-17-23(30)28-11-13-29(14-12-28)34(31,32)22-6-2-1-4-19(22)16-26/h1-10,15,24,27H,11-14,17H2