4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-fluorophenyl)methyl]butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-fluorophenyl)methyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[(4-fluorophenyl)methyl]butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]butanamide Traditional Name: N-(4-fluorobenzyl)-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C20H25FN2O3S MolecularWeight: 392.487503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C20H25FN2O3S/c1-15-6-7-16(2)19(13-15)23(27(3,25)26)12-4-5-20(24)22-14-17-8-10-18(21)11-9-17/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)