N-(furan-2-ylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(2-furylmethyl)benzamide CAS Name: N-(2-furanylmethyl)-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(2-furfuryl)benzamide Formula: C23H26N3O4S+ MolecularWeight: 440.53524

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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=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H25N3O4S/c27-23(24-17-21-9-5-15-30-21)20-8-4-10-22(16-20)31(28,29)26-13-11-25(12-14-26)18-19-6-2-1-3-7-19/h1-10,15-16H,11-14,17-18H2,(H,24,27)/p+1