N-(2-methylpropyl)-2-oxidanylidene-N-[(2R)-2-oxidanyl-4-phenyl-butyl]benzimidazole-5-sulfonamide

Systemtic Name: N-(2-methylpropyl)-2-oxidanylidene-N-[(2R)-2-oxidanyl-4-phenyl-butyl]benzimidazole-5-sulfonamide Openeye Name: N-[(2R)-2-hydroxy-4-phenyl-butyl]-N-isobutyl-2-oxo-benzimidazole-5-sulfonamide CAS Name: N-[(2R)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-2-oxo-5-benzimidazolesulfonamide IUPAC Name: N-[(2R)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-2-oxobenzimidazole-5-sulfonamide Traditional Name: N-[(2R)-2-hydroxy-4-phenyl-butyl]-N-isobutyl-2-keto-benzimidazole-5-sulfonamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(CCC1=CC=CC=C1)O)S(=O)(=O)C2=CC3=NC(=O)N=C3C=C2

Isomeric SMILES

CC(C)CN(C[C@@H](CCC1=CC=CC=C1)O)S(=O)(=O)C2=CC3=NC(=O)N=C3C=C2

InChI

InChI=1S/C21H25N3O4S/c1-15(2)13-24(14-17(25)9-8-16-6-4-3-5-7-16)29(27,28)18-10-11-19-20(12-18)23-21(26)22-19/h3-7,10-12,15,17,25H,8-9,13-14H2,1-2H3/t17-/m1/s1