6-bromanyl-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-sulfonic acid

Systemtic Name: 6-bromanyl-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-sulfonic acid Openeye Name: 6-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-sulfonic acid CAS Name: 6-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-indolesulfonic acid IUPAC Name: 6-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-sulfonic acid Traditional Name: 6-bromo-1-(2-imidazolin-2-ylmethyl)indole-3-sulfonic acid Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CN2C=C(C3=C2C=C(C=C3)Br)S(=O)(=O)O

Isomeric SMILES

C1CN=C(N1)CN2C=C(C3=C2C=C(C=C3)Br)S(=O)(=O)O

InChI

InChI=1S/C12H12BrN3O3S/c13-8-1-2-9-10(5-8)16(6-11(9)20(17,18)19)7-12-14-3-4-15-12/h1-2,5-6H,3-4,7H2,(H,14,15)(H,17,18,19)