2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[(2-imidazol-1-ylphenyl)methyl]butanamide

Systemtic Name: 2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[(2-imidazol-1-ylphenyl)methyl]butanamide Openeye Name: 2-(4-fluoro-N-methylsulfonyl-anilino)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide CAS Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[[2-(1-imidazolyl)phenyl]methyl]butanamide IUPAC Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide Traditional Name: 2-(4-fluoro-N-mesyl-anilino)-N-(2-imidazol-1-ylbenzyl)butyramide Formula: C21H23FN4O3S MolecularWeight: 430.495723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1N2C=CN=C2)N(C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1N2C=CN=C2)N(C3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C21H23FN4O3S/c1-3-19(26(30(2,28)29)18-10-8-17(22)9-11-18)21(27)24-14-16-6-4-5-7-20(16)25-13-12-23-15-25/h4-13,15,19H,3,14H2,1-2H3,(H,24,27)