2-[4-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(2-chloro-6-fluoro-benzyl)-cyclopropyl-amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C23H24ClFN4O3S MolecularWeight: 490.978063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=C(C=CC=C2Cl)F)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC1N(CC2=C(C=CC=C2Cl)F)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H24ClFN4O3S/c24-20-5-3-6-21(25)19(20)15-28(18-8-9-18)16-23(30)27-10-12-29(13-11-27)33(31,32)22-7-2-1-4-17(22)14-26/h1-7,18H,8-13,15-16H2