N-[4-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]phenyl]-3-methyl-butyramide Formula: C22H28FN3O4S MolecularWeight: 449.538823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O4S/c1-16(2)15-22(28)25-19-10-8-18(9-11-19)24-21(27)5-4-14-26(3)31(29,30)20-12-6-17(23)7-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,28)