methyl 4-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(thiophen-2-ylsulfonylamino)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C18H23N2O4S2+ MolecularWeight: 395.51622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N2O4S2/c1-24-18(21)15-6-4-14(5-7-15)13-20-10-8-16(9-11-20)19-26(22,23)17-3-2-12-25-17/h2-7,12,16,19H,8-11,13H2,1H3/p+1