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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl)OCC3CCN(CC3)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl)OCC3CCN(CC3)C(=N)N

InChI

InChI=1S/C20H23Cl2N3O4S/c1-13-9-15(28-12-14-5-7-25(8-6-14)20(23)24)11-16(10-13)29-30(26,27)18-4-2-3-17(21)19(18)22/h2-4,9-11,14H,5-8,12H2,1H3,(H3,23,24)