methyl 2-methyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid methyl ester Formula: C16H21N2O5S2+ MolecularWeight: 385.47834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C16H20N2O5S2/c1-12-14(16(19)22-2)10-13(23-12)11-17-5-7-18(8-6-17)25(20,21)15-4-3-9-24-15/h3-4,9-10H,5-8,11H2,1-2H3/p+1