ethyl 4-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[4-(4-fluoro-N-methylsulfonyl-anilino)butanoylamino]-3-methyl-benzoate CAS Name: 4-[[4-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-3-methylbenzoate Traditional Name: 4-[4-(4-fluoro-N-mesyl-anilino)butanoylamino]-3-methyl-benzoic acid ethyl ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C)C

InChI

InChI=1S/C21H25FN2O5S/c1-4-29-21(26)16-7-12-19(15(2)14-16)23-20(25)6-5-13-24(30(3,27)28)18-10-8-17(22)9-11-18/h7-12,14H,4-6,13H2,1-3H3,(H,23,25)