2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H25N3O4S/c1-15-5-6-16(2)18(12-15)27(24,25)22-9-7-21(8-10-22)14-19(23)20-13-17-4-3-11-26-17/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,20,23)/p+1