[3-(1-carbamimidoylpiperidin-4-yl)-2,5-dimethoxy-phenyl] 2-chloranylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C2CCN(CC2)C(=N)N)OC)OS(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC(=C(C(=C1)C2CCN(CC2)C(=N)N)OC)OS(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O5S/c1-27-14-11-15(13-7-9-24(10-8-13)20(22)23)19(28-2)17(12-14)29-30(25,26)18-6-4-3-5-16(18)21/h3-6,11-13H,7-10H2,1-2H3,(H3,22,23)