[2-[methyl-[2-(phenylmethyl)sulfonylethyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [2-[methyl-[2-(phenylmethyl)sulfonylethyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [2-[2-benzylsulfonylethyl(methyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-[methyl-[2-(phenylmethyl)sulfonylethyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [2-[2-benzylsulfonylethyl(methyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [2-[2-benzylsulfonylethyl(methyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C13H23NO9P2S MolecularWeight: 431.335542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C13H23NO9P2S/c1-11(13(15,24(16,17)18)25(19,20)21)14(2)8-9-26(22,23)10-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H2,16,17,18)(H2,19,20,21)