N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-4-methylsulfonyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-4-mesyl-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H25FN2O5S2 MolecularWeight: 468.562003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C(CCS(=O)(=O)C)NS(=O)(=O)C=CC2=CC=CC=C2)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C(CCS(=O)(=O)C)NS(=O)(=O)/C=C/C2=CC=CC=C2)F

InChI

InChI=1S/C21H25FN2O5S2/c1-16-14-18(8-9-19(16)22)15-23-21(25)20(11-12-30(2,26)27)24-31(28,29)13-10-17-6-4-3-5-7-17/h3-10,13-14,20,24H,11-12,15H2,1-2H3,(H,23,25)/b13-10+