2-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]-1-propyl-benzimidazole-5-sulfonamide Formula: C25H33N5O3S MolecularWeight: 483.62622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O3S/c1-2-13-30-23-10-9-21(34(26,32)33)18-22(23)27-24(30)11-12-25(31)29-15-6-14-28(16-17-29)19-20-7-4-3-5-8-20/h3-5,7-10,18H,2,6,11-17,19H2,1H3,(H2,26,32,33)