N-(4-fluorophenyl)-4-methyl-3-(4-pyrazin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(4-fluorophenyl)-4-methyl-3-(4-pyrazin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-4-methyl-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(4-fluorophenyl)-4-methyl-3-[oxo-[4-(2-pyrazinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(4-fluorophenyl)-4-methyl-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-fluorophenyl)-4-methyl-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C22H22FN5O3S MolecularWeight: 455.505183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C22H22FN5O3S/c1-16-2-7-19(32(30,31)26-18-5-3-17(23)4-6-18)14-20(16)22(29)28-12-10-27(11-13-28)21-15-24-8-9-25-21/h2-9,14-15,26H,10-13H2,1H3