tert-butyl N-[[2-(hydroxymethyl)-1-(3-methylsulfonylpropyl)benzimidazol-5-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[2-(hydroxymethyl)-1-(3-methylsulfonylpropyl)benzimidazol-5-yl]methyl]carbamate Openeye Name: tert-butyl N-[[2-(hydroxymethyl)-1-(3-methylsulfonylpropyl)benzimidazol-5-yl]methyl]carbamate CAS Name: N-[[2-(hydroxymethyl)-1-(3-methylsulfonylpropyl)-5-benzimidazolyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(hydroxymethyl)-1-(3-methylsulfonylpropyl)benzimidazol-5-yl]methyl]carbamate Traditional Name: N-[[1-(3-mesylpropyl)-2-methylol-benzimidazol-5-yl]methyl]carbamic acid tert-butyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)N(C(=N2)CO)CCCS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)N(C(=N2)CO)CCCS(=O)(=O)C

InChI

InChI=1S/C18H27N3O5S/c1-18(2,3)26-17(23)19-11-13-6-7-15-14(10-13)20-16(12-22)21(15)8-5-9-27(4,24)25/h6-7,10,22H,5,8-9,11-12H2,1-4H3,(H,19,23)