1-[4-(2-azidoethyl)phenyl]-6-chloranyl-2-ethyl-5-methylsulfonyl-benzimidazole

Systemtic Name: 1-[4-(2-azidoethyl)phenyl]-6-chloranyl-2-ethyl-5-methylsulfonyl-benzimidazole Openeye Name: 1-[4-(2-azidoethyl)phenyl]-6-chloro-2-ethyl-5-methylsulfonyl-benzimidazole CAS Name: 1-[4-(2-azidoethyl)phenyl]-6-chloro-2-ethyl-5-methylsulfonylbenzimidazole IUPAC Name: 1-[4-(2-azidoethyl)phenyl]-6-chloro-2-ethyl-5-methylsulfonylbenzimidazole Traditional Name: 1-[4-(2-azidoethyl)phenyl]-6-chloro-2-ethyl-5-mesyl-benzimidazole Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC(=C(C=C2N1C3=CC=C(C=C3)CCN=[N+]=[N-])Cl)S(=O)(=O)C

Isomeric SMILES

CCC1=NC2=CC(=C(C=C2N1C3=CC=C(C=C3)CCN=[N+]=[N-])Cl)S(=O)(=O)C

InChI

InChI=1S/C18H18ClN5O2S/c1-3-18-22-15-11-17(27(2,25)26)14(19)10-16(15)24(18)13-6-4-12(5-7-13)8-9-21-23-20/h4-7,10-11H,3,8-9H2,1-2H3