3-[4-[1-azanyl-3-(4-methylsulfonylphenyl)-1-oxidanylidene-propan-2-yl]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[1-azanyl-3-(4-methylsulfonylphenyl)-1-oxidanylidene-propan-2-yl]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[2-amino-1-[(4-methylsulfonylphenyl)methyl]-2-oxo-ethyl]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[1-amino-3-(4-methylsulfonylphenyl)-1-oxopropan-2-yl]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[1-amino-3-(4-methylsulfonylphenyl)-1-oxopropan-2-yl]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[2-amino-2-keto-1-(4-mesylbenzyl)ethyl]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C21H28NO6PS MolecularWeight: 453.488881

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC=C(C=C2)S(=O)(=O)C)C(=O)N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC=C(C=C2)S(=O)(=O)C)C(=O)N)P(=O)(O)O

InChI

InChI=1S/C21H28NO6PS/c1-4-21(5-2,29(24,25)26)17-10-8-16(9-11-17)19(20(22)23)14-15-6-12-18(13-7-15)30(3,27)28/h6-13,19H,4-5,14H2,1-3H3,(H2,22,23)(H2,24,25,26)