2-[2-(1-methyl-5-nitro-imidazol-2-yl)benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(1-methyl-5-nitro-imidazol-2-yl)benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-(1-methyl-5-nitro-imidazol-2-yl)benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(1-methyl-5-nitro-2-imidazolyl)-1-benzimidazolyl]ethyl ester IUPAC Name: 2-[2-(1-methyl-5-nitroimidazol-2-yl)benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-(1-methyl-5-nitro-imidazol-2-yl)benzimidazol-1-yl]ethyl ester Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C3=CC=CC=C3N=C2C4=NC=C(N4C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C3=CC=CC=C3N=C2C4=NC=C(N4C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S/c1-14-7-9-15(10-8-14)31(28,29)30-12-11-24-17-6-4-3-5-16(17)22-20(24)19-21-13-18(23(19)2)25(26)27/h3-10,13H,11-12H2,1-2H3