[3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methyl-phenyl] 3-oxidanylbenzenesulfonate

Systemtic Name: [3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methyl-phenyl] 3-oxidanylbenzenesulfonate Openeye Name: [3-(1-carbamimidoyl-4-piperidyl)-2-methoxy-5-methyl-phenyl] 3-hydroxybenzenesulfonate CAS Name: 3-hydroxybenzenesulfonic acid [3-(1-carbamimidoyl-4-piperidinyl)-2-methoxy-5-methylphenyl] ester IUPAC Name: [3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methylphenyl] 3-hydroxybenzenesulfonate Traditional Name: 3-hydroxybenzenesulfonic acid [3-(1-amidino-4-piperidyl)-2-methoxy-5-methyl-phenyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-13-10-17(14-6-8-23(9-7-14)20(21)22)19(27-2)18(11-13)28-29(25,26)16-5-3-4-15(24)12-16/h3-5,10-12,14,24H,6-9H2,1-2H3,(H3,21,22)