[2-[carbamimidoyl-(3-methylsulfonyl-2-piperidin-4-yl-phenyl)carbonyl-amino]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[carbamimidoyl-(3-methylsulfonyl-2-piperidin-4-yl-phenyl)carbonyl-amino]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[carbamimidoyl-[3-methylsulfonyl-2-(4-piperidyl)benzoyl]amino]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[carbamimidoyl-[[3-methylsulfonyl-2-(4-piperidinyl)phenyl]-oxomethyl]amino]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[carbamimidoyl-(3-methylsulfonyl-2-piperidin-4-ylbenzoyl)amino]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[amidino-[3-mesyl-2-(4-piperidyl)benzoyl]amino]-1-phosphono-ethyl]phosphonic acid Formula: C16H26N4O9P2S MolecularWeight: 512.411562

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1C2CCNCC2)C(=O)N(CC(P(=O)(O)O)P(=O)(O)O)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1C2CCNCC2)C(=O)N(CC(P(=O)(O)O)P(=O)(O)O)C(=N)N

InChI

InChI=1S/C16H26N4O9P2S/c1-32(28,29)12-4-2-3-11(14(12)10-5-7-19-8-6-10)15(21)20(16(17)18)9-13(30(22,23)24)31(25,26)27/h2-4,10,13,19H,5-9H2,1H3,(H3,17,18)(H2,22,23,24)(H2,25,26,27)