4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide

Systemtic Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide Openeye Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]butanamide CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]butanamide IUPAC Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[4-(isopropylcarbamoylamino)benzyl]butyramide Formula: C22H29FN4O4S MolecularWeight: 464.553463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN4O4S/c1-16(2)25-22(29)26-19-10-6-17(7-11-19)15-24-21(28)5-4-14-27(3)32(30,31)20-12-8-18(23)9-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,28)(H2,25,26,29)