4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide

Systemtic Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide Openeye Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(2-methyl-4-pyrimidinyl)phenyl]butanamide IUPAC Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[3-(2-methylpyrimidin-4-yl)phenyl]butyramide Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN4O3S/c1-16-24-13-12-21(25-16)17-5-3-6-19(15-17)26-22(28)7-4-14-27(2)31(29,30)20-10-8-18(23)9-11-20/h3,5-6,8-13,15H,4,7,14H2,1-2H3,(H,26,28)