4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[2-methyl-5-(propanoylamino)phenyl]butanamide

Systemtic Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[2-methyl-5-(propanoylamino)phenyl]butanamide Openeye Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[2-methyl-5-(propanoylamino)phenyl]butanamide CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(1-oxopropylamino)phenyl]butanamide IUPAC Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(propanoylamino)phenyl]butanamide Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(2-methyl-5-propionamido-phenyl)butyramide Formula: C21H26FN3O4S MolecularWeight: 435.512243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H26FN3O4S/c1-4-20(26)23-17-10-7-15(2)19(14-17)24-21(27)6-5-13-25(3)30(28,29)18-11-8-16(22)9-12-18/h7-12,14H,4-6,13H2,1-3H3,(H,23,26)(H,24,27)