[3-[(4-carbamimidoylcyclohexyl)methoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-[(4-carbamimidoylcyclohexyl)methoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-[(4-carbamimidoylcyclohexyl)methoxy]-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-[(4-carbamimidoylcyclohexyl)methoxy]-5-methylphenyl] ester IUPAC Name: [3-[(4-carbamimidoylcyclohexyl)methoxy]-5-methylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-[(4-amidinocyclohexyl)methoxy]-5-methyl-phenyl] ester Formula: C21H25ClN2O4S MolecularWeight: 436.9522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCC3CCC(CC3)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCC3CCC(CC3)C(=N)N

InChI

InChI=1S/C21H25ClN2O4S/c1-14-10-17(27-13-15-6-8-16(9-7-15)21(23)24)12-18(11-14)28-29(25,26)20-5-3-2-4-19(20)22/h2-5,10-12,15-16H,6-9,13H2,1H3,(H3,23,24)