4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[1-(4-fluorophenyl)ethyl]butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[1-(4-fluorophenyl)ethyl]butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[1-(4-fluorophenyl)ethyl]butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-4-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C21H27FN2O3S MolecularWeight: 406.514083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O3S/c1-15-7-12-20(14-16(15)2)24(28(4,26)27)13-5-6-21(25)23-17(3)18-8-10-19(22)11-9-18/h7-12,14,17H,5-6,13H2,1-4H3,(H,23,25)