[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[4-(4-acetylphenyl)sulfonylpiperazino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C20H25N3O5S/c1-16(24)17-5-7-19(8-6-17)29(26,27)23-11-9-22(10-12-23)20(25)15-21(2)14-18-4-3-13-28-18/h3-8,13H,9-12,14-15H2,1-2H3/p+1