2-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[3-(1,3-benzoxazol-2-yl)-1-piperidyl]methyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[3-(1,3-benzoxazol-2-yl)piperidino]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCCC(C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCCC(C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H29N5O3S/c1-2-3-13-29-21-11-10-18(33(25,30)31)14-20(21)26-23(29)16-28-12-6-7-17(15-28)24-27-19-8-4-5-9-22(19)32-24/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16H2,1H3,(H2,25,30,31)