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

Systemtic Name: 4-chloranyl-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-sulfonic acid Openeye Name: 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-sulfonic acid CAS Name: 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-indolesulfonic acid IUPAC Name: 4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-sulfonic acid Traditional Name: 4-chloro-1-(2-imidazolin-2-ylmethyl)indole-3-sulfonic acid Formula: C12H12ClN3O3S MolecularWeight: 313.75998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CN2C=C(C3=C2C=CC=C3Cl)S(=O)(=O)O

Isomeric SMILES

C1CN=C(N1)CN2C=C(C3=C2C=CC=C3Cl)S(=O)(=O)O

InChI

InChI=1S/C12H12ClN3O3S/c13-8-2-1-3-9-12(8)10(20(17,18)19)6-16(9)7-11-14-4-5-15-11/h1-3,6H,4-5,7H2,(H,14,15)(H,17,18,19)