3,4,5-trimethoxy-N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-(4-besylpiperazin-1-ium-1-yl)ethyl]-3,4,5-trimethoxy-benzamide Formula: C22H30N3O6S+ MolecularWeight: 464.5551

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O6S/c1-29-19-15-17(16-20(30-2)21(19)31-3)22(26)23-9-10-24-11-13-25(14-12-24)32(27,28)18-7-5-4-6-8-18/h4-8,15-16H,9-14H2,1-3H3,(H,23,26)/p+1