[3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methyl-phenyl] 3-[2,3-bis(oxidanyl)propoxy]benzenesulfonate

Systemtic Name: [3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methyl-phenyl] 3-[2,3-bis(oxidanyl)propoxy]benzenesulfonate Openeye Name: [3-(1-carbamimidoyl-4-piperidyl)-2-methoxy-5-methyl-phenyl] 3-(2,3-dihydroxypropoxy)benzenesulfonate CAS Name: 3-(2,3-dihydroxypropoxy)benzenesulfonic acid [3-(1-carbamimidoyl-4-piperidinyl)-2-methoxy-5-methylphenyl] ester IUPAC Name: [3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methylphenyl] 3-(2,3-dihydroxypropoxy)benzenesulfonate Traditional Name: 3-glyceryloxybenzenesulfonic acid [3-(1-amidino-4-piperidyl)-2-methoxy-5-methyl-phenyl] ester Formula: C23H31N3O7S MolecularWeight: 493.57314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2CCN(CC2)C(=N)N)OC)OS(=O)(=O)C3=CC=CC(=C3)OCC(CO)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C2CCN(CC2)C(=N)N)OC)OS(=O)(=O)C3=CC=CC(=C3)OCC(CO)O

InChI

InChI=1S/C23H31N3O7S/c1-15-10-20(16-6-8-26(9-7-16)23(24)25)22(31-2)21(11-15)33-34(29,30)19-5-3-4-18(12-19)32-14-17(28)13-27/h3-5,10-12,16-17,27-28H,6-9,13-14H2,1-2H3,(H3,24,25)