2-(5-nitrobenzimidazol-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(5-nitrobenzimidazol-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(5-nitrobenzimidazol-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(5-nitro-1-benzimidazolyl)ethyl ester IUPAC Name: 2-(5-nitrobenzimidazol-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(5-nitrobenzimidazol-1-yl)ethyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=NC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=NC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-12-2-5-14(6-3-12)25(22,23)24-9-8-18-11-17-15-10-13(19(20)21)4-7-16(15)18/h2-7,10-11H,8-9H2,1H3