methyl 3-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C23H23N2O4S2+ MolecularWeight: 455.56972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C23H22N2O4S2/c1-29-23(26)22-20(10-15-30-22)31(27,28)25-13-11-24(12-14-25)21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-10,15,21H,11-14H2,1H3/p+1