N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide CAS Name: N-(2-imidazo[1,2-a]pyridinylmethyl)-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide Formula: C26H28N5O3S+ MolecularWeight: 490.59722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CN5C=CC=CC5=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CN5C=CC=CC5=N4

InChI

InChI=1S/C26H27N5O3S/c32-26(27-18-23-20-30-12-5-4-11-25(30)28-23)22-9-6-10-24(17-22)35(33,34)31-15-13-29(14-16-31)19-21-7-2-1-3-8-21/h1-12,17,20H,13-16,18-19H2,(H,27,32)/p+1