[4-[N-[4-(3,6-dihydro-2H-pyridin-1-ylsulfamoyl)phenyl]-C-methyl-carbonimidoyl]phenyl] benzenesulfonate

Systemtic Name: [4-[N-[4-(3,6-dihydro-2H-pyridin-1-ylsulfamoyl)phenyl]-C-methyl-carbonimidoyl]phenyl] benzenesulfonate Openeye Name: [4-[N-[4-(3,6-dihydro-2H-pyridin-1-ylsulfamoyl)phenyl]-C-methyl-carbonimidoyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[1-[4-(3,6-dihydro-2H-pyridin-1-ylsulfamoyl)phenyl]iminoethyl]phenyl] ester IUPAC Name: [4-[N-[4-(3,6-dihydro-2H-pyridin-1-ylsulfamoyl)phenyl]-C-methylcarbonimidoyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[N-[4-(3,6-dihydro-2H-pyridin-1-ylsulfamoyl)phenyl]-C-methyl-carbonimidoyl]phenyl] ester Formula: C25H25N3O5S2 MolecularWeight: 511.6131

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC=C(C=C1)S(=O)(=O)NN2CCC=CC2)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=NC1=CC=C(C=C1)S(=O)(=O)NN2CCC=CC2)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O5S2/c1-20(21-10-14-23(15-11-21)33-35(31,32)25-8-4-2-5-9-25)26-22-12-16-24(17-13-22)34(29,30)27-28-18-6-3-7-19-28/h2-6,8-17,27H,7,18-19H2,1H3