2-azanyl-3-[3,5-bis(fluoranyl)phenyl]-2-methylsulfonyl-3-prop-2-enyl-heptanoic acid

Systemtic Name: 2-azanyl-3-[3,5-bis(fluoranyl)phenyl]-2-methylsulfonyl-3-prop-2-enyl-heptanoic acid Openeye Name: 3-allyl-2-amino-3-(3,5-difluorophenyl)-2-methylsulfonyl-heptanoic acid CAS Name: 2-amino-3-(3,5-difluorophenyl)-2-methylsulfonyl-3-prop-2-enylheptanoic acid IUPAC Name: 2-amino-3-(3,5-difluorophenyl)-2-methylsulfonyl-3-prop-2-enylheptanoic acid Traditional Name: 2-amino-3-butyl-3-(3,5-difluorophenyl)-2-mesyl-hex-5-enoic acid Formula: C17H23F2NO4S MolecularWeight: 375.430626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC=C)(C1=CC(=CC(=C1)F)F)C(C(=O)O)(N)S(=O)(=O)C

Isomeric SMILES

CCCCC(CC=C)(C1=CC(=CC(=C1)F)F)C(C(=O)O)(N)S(=O)(=O)C

InChI

InChI=1S/C17H23F2NO4S/c1-4-6-8-16(7-5-2,12-9-13(18)11-14(19)10-12)17(20,15(21)22)25(3,23)24/h5,9-11H,2,4,6-8,20H2,1,3H3,(H,21,22)