carbamimidoyl-(3-methylsulfonyl-4-piperidin-1-yl-phenyl)carbonyl-azanium; 2,3,4,5,6-pentakis(oxidanyl)hexanoate

Systemtic Name: carbamimidoyl-(3-methylsulfonyl-4-piperidin-1-yl-phenyl)carbonyl-azanium; 2,3,4,5,6-pentakis(oxidanyl)hexanoate Openeye Name: carbamimidoyl-[3-methylsulfonyl-4-(1-piperidyl)benzoyl]ammonium; 2,3,4,5,6-pentahydroxyhexanoate CAS Name: carbamimidoyl-[[3-methylsulfonyl-4-(1-piperidinyl)phenyl]-oxomethyl]ammonium; 2,3,4,5,6-pentahydroxyhexanoate IUPAC Name: carbamimidoyl-(3-methylsulfonyl-4-piperidin-1-ylbenzoyl)azanium; 2,3,4,5,6-pentahydroxyhexanoate Traditional Name: amidino-(3-mesyl-4-piperidino-benzoyl)ammonium; 2,3,4,5,6-pentahydroxyhexanoate Formula: C20H32N4O10S MolecularWeight: 520.55388

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)[NH2+]C(=N)N)N2CCCCC2.C(C(C(C(C(C(=O)[O-])O)O)O)O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)[NH2+]C(=N)N)N2CCCCC2.C(C(C(C(C(C(=O)[O-])O)O)O)O)O

InChI

InChI=1S/C14H20N4O3S.C6H12O7/c1-22(20,21)12-9-10(13(19)17-14(15)16)5-6-11(12)18-7-3-2-4-8-18;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-6,9H,2-4,7-8H2,1H3,(H4,15,16,17,19);2-5,7-11H,1H2,(H,12,13)