[4-[2-azanyl-4-(3-bromophenyl)-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl] propane-1-sulfonate

Systemtic Name: [4-[2-azanyl-4-(3-bromophenyl)-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl] propane-1-sulfonate Openeye Name: [4-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxo-imidazol-4-yl]phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-[2-amino-4-(3-bromophenyl)-5-keto-1-methyl-2-imidazolin-4-yl]phenyl] ester Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC=C(C=C1)C2(C(=O)N(C(=N2)N)C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=C(C=C1)C2(C(=O)N(C(=N2)N)C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H20BrN3O4S/c1-3-11-28(25,26)27-16-9-7-13(8-10-16)19(14-5-4-6-15(20)12-14)17(24)23(2)18(21)22-19/h4-10,12H,3,11H2,1-2H3,(H2,21,22)