[1-[(2,3-diethylphenyl)sulfonyl-ethyl-amino]-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-[(2,3-diethylphenyl)sulfonyl-ethyl-amino]-1-phosphono-propyl]phosphonic acid Openeye Name: [1-[(2,3-diethylphenyl)sulfonyl-ethyl-amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-[(2,3-diethylphenyl)sulfonyl-ethylamino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-[(2,3-diethylphenyl)sulfonyl-ethylamino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-[(2,3-diethylphenyl)sulfonyl-ethyl-amino]-1-phosphono-propyl]phosphonic acid Formula: C15H27NO8P2S MolecularWeight: 443.389302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)S(=O)(=O)N(CC)C(CC)(P(=O)(O)O)P(=O)(O)O)CC

Isomeric SMILES

CCC1=C(C(=CC=C1)S(=O)(=O)N(CC)C(CC)(P(=O)(O)O)P(=O)(O)O)CC

InChI

InChI=1S/C15H27NO8P2S/c1-5-12-10-9-11-14(13(12)6-2)27(23,24)16(8-4)15(7-3,25(17,18)19)26(20,21)22/h9-11H,5-8H2,1-4H3,(H2,17,18,19)(H2,20,21,22)