2-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]-1-propyl-benzimidazole-5-sulfonamide Formula: C25H31N6O3S+ MolecularWeight: 495.61704

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H30N6O3S/c1-2-11-31-23-8-7-21(35(27,33)34)16-22(23)28-24(31)9-10-25(32)30-14-12-29(13-15-30)18-20-5-3-19(17-26)4-6-20/h3-8,16H,2,9-15,18H2,1H3,(H2,27,33,34)/p+1