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

Systemtic Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-sulfonic acid Openeye Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-sulfonic acid CAS Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-indolesulfonic acid IUPAC Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-sulfonic acid Traditional Name: 1-(2-imidazolin-2-ylmethyl)indole-3-sulfonic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CN2C=C(C3=CC=CC=C32)S(=O)(=O)O

Isomeric SMILES

C1CN=C(N1)CN2C=C(C3=CC=CC=C32)S(=O)(=O)O

InChI

InChI=1S/C12H13N3O3S/c16-19(17,18)11-7-15(8-12-13-5-6-14-12)10-4-2-1-3-9(10)11/h1-4,7H,5-6,8H2,(H,13,14)(H,16,17,18)