N-(2,6-dimethylphenyl)-2-[4-[3-(phenylsulfonylmethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-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-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[[3-(benzenesulfonylmethyl)-2-furanyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[3-(benzenesulfonylmethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[3-(besylmethyl)-2-furoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C26H30N3O5S+ MolecularWeight: 496.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

InChI

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