[3-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazinyl]butoxy]-5-methyl-phenyl] benzenesulfonate

Systemtic Name: [3-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazinyl]butoxy]-5-methyl-phenyl] benzenesulfonate Openeye Name: [3-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazino]butoxy]-5-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[3-(4,5-dihydro-1H-imidazol-2-ylhydrazo)butoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazinyl]butoxy]-5-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[3-[N'-(2-imidazolin-2-yl)hydrazino]butoxy]-5-methyl-phenyl] ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCC(C)NNC3=NCCN3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCC(C)NNC3=NCCN3

InChI

InChI=1S/C20H26N4O4S/c1-15-12-17(27-11-8-16(2)23-24-20-21-9-10-22-20)14-18(13-15)28-29(25,26)19-6-4-3-5-7-19/h3-7,12-14,16,23H,8-11H2,1-2H3,(H2,21,22,24)