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

Systemtic Name: [3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methyl-phenyl] 2,3-bis(chloranyl)benzenesulfonate Openeye Name: [3-(1-carbamimidoyl-4-piperidyl)-2-methoxy-5-methyl-phenyl] 2,3-dichlorobenzenesulfonate CAS Name: 2,3-dichlorobenzenesulfonic acid [3-(1-carbamimidoyl-4-piperidinyl)-2-methoxy-5-methylphenyl] ester IUPAC Name: [3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methylphenyl] 2,3-dichlorobenzenesulfonate Traditional Name: 2,3-dichlorobenzenesulfonic acid [3-(1-amidino-4-piperidyl)-2-methoxy-5-methyl-phenyl] ester Formula: C20H23Cl2N3O4S MolecularWeight: 472.38532

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=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23Cl2N3O4S/c1-12-10-14(13-6-8-25(9-7-13)20(23)24)19(28-2)16(11-12)29-30(26,27)17-5-3-4-15(21)18(17)22/h3-5,10-11,13H,6-9H2,1-2H3,(H3,23,24)