N-[2-(3-fluoranylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[2-(3-fluoranylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-(3-fluoropiperazin-1-yl)-4-isopropylsulfonyl-phenyl]-1-phenyl-methanesulfonamide CAS Name: N-[2-(3-fluoro-1-piperazinyl)-4-propan-2-ylsulfonylphenyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-(3-fluoropiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]-1-phenylmethanesulfonamide Traditional Name: N-[2-(3-fluoropiperazino)-4-isopropylsulfonyl-phenyl]-1-phenyl-methanesulfonamide Formula: C20H26FN3O4S2 MolecularWeight: 455.566543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)F

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)F

InChI

InChI=1S/C20H26FN3O4S2/c1-15(2)30(27,28)17-8-9-18(19(12-17)24-11-10-22-20(21)13-24)23-29(25,26)14-16-6-4-3-5-7-16/h3-9,12,15,20,22-23H,10-11,13-14H2,1-2H3