N-(2-ethylphenyl)-2-[4-[3-(phenylsulfonylmethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[3-(phenylsulfonylmethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[3-(benzenesulfonylmethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[[3-(benzenesulfonylmethyl)-2-furanyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[3-(benzenesulfonylmethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[3-(besylmethyl)-2-furoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C26H30N3O5S+ MolecularWeight: 496.5985

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O5S/c1-2-20-8-6-7-11-23(20)27-24(30)18-28-13-15-29(16-14-28)26(31)25-21(12-17-34-25)19-35(32,33)22-9-4-3-5-10-22/h3-12,17H,2,13-16,18-19H2,1H3,(H,27,30)/p+1