N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-cyclopentyloxy-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-cyclopentyloxy-3H-benzimidazole-5-sulfonamide Openeye Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-(cyclopentoxy)-3H-benzimidazole-5-sulfonamide CAS Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopentyloxy-3H-benzimidazole-5-sulfonamide IUPAC Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopentyloxy-3H-benzimidazole-5-sulfonamide Traditional Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-(cyclopentoxy)-3H-benzimidazole-5-sulfonamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)ON(CC(C(CC2=CC=CC=C2)N)O)S(=O)(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1CCC(C1)ON(CC(C(CC2=CC=CC=C2)N)O)S(=O)(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C22H28N4O4S/c23-19(12-16-6-2-1-3-7-16)22(27)14-26(30-17-8-4-5-9-17)31(28,29)18-10-11-20-21(13-18)25-15-24-20/h1-3,6-7,10-11,13,15,17,19,22,27H,4-5,8-9,12,14,23H2,(H,24,25)