N-(furan-2-ylmethyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-furylmethyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-furfuryl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CO3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CO3)C)C

InChI

InChI=1S/C21H29N3O4S/c1-15-12-16(2)18(4)21(17(15)3)29(26,27)24-9-7-23(8-10-24)14-20(25)22-13-19-6-5-11-28-19/h5-6,11-12H,7-10,13-14H2,1-4H3,(H,22,25)/p+1