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

Systemtic Name: 5-chloranyl-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-indole-3-sulfonic acid Openeye Name: 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-indole-3-sulfonic acid CAS Name: 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-3-indolesulfonic acid IUPAC Name: 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylindole-3-sulfonic acid Traditional Name: 5-chloro-1-(2-imidazolin-2-ylmethyl)-2-methyl-indole-3-sulfonic acid Formula: C13H14ClN3O3S MolecularWeight: 327.78656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=NCCN3)C=CC(=C2)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=NCCN3)C=CC(=C2)Cl)S(=O)(=O)O

InChI

InChI=1S/C13H14ClN3O3S/c1-8-13(21(18,19)20)10-6-9(14)2-3-11(10)17(8)7-12-15-4-5-16-12/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,18,19,20)