[3-(1-carbamimidoylpiperidin-4-yl)-5-(hydroxymethyl)-2-methoxy-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-(1-carbamimidoylpiperidin-4-yl)-5-(hydroxymethyl)-2-methoxy-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-(1-carbamimidoyl-4-piperidyl)-5-(hydroxymethyl)-2-methoxy-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-(1-carbamimidoyl-4-piperidinyl)-5-(hydroxymethyl)-2-methoxyphenyl] ester IUPAC Name: [3-(1-carbamimidoylpiperidin-4-yl)-5-(hydroxymethyl)-2-methoxyphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-(1-amidino-4-piperidyl)-2-methoxy-5-methylol-phenyl] ester Formula: C20H24ClN3O5S MolecularWeight: 453.93966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C2CCN(CC2)C(=N)N)CO)OS(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=C(C=C1C2CCN(CC2)C(=N)N)CO)OS(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O5S/c1-28-19-15(14-6-8-24(9-7-14)20(22)23)10-13(12-25)11-17(19)29-30(26,27)18-5-3-2-4-16(18)21/h2-5,10-11,14,25H,6-9,12H2,1H3,(H3,22,23)