methyl 3-oxidanyl-4-[[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate

Systemtic Name: methyl 3-oxidanyl-4-[[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Openeye Name: methyl 4-[[4-(benzenesulfonamido)piperidin-1-ium-1-yl]methyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[[4-(benzenesulfonamido)-1-piperidin-1-iumyl]methyl]-3-hydroxy-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(benzenesulfonamido)piperidin-1-ium-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 4-[[4-(benzenesulfonamido)piperidin-1-ium-1-yl]methyl]-3-hydroxy-naphthalene-2-carboxylic acid methyl ester Formula: C24H27N2O5S+ MolecularWeight: 455.54658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O5S/c1-31-24(28)21-15-17-7-5-6-10-20(17)22(23(21)27)16-26-13-11-18(12-14-26)25-32(29,30)19-8-3-2-4-9-19/h2-10,15,18,25,27H,11-14,16H2,1H3/p+1