4-methoxy-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]sulfamoyl]benzoate

Systemtic Name: 4-methoxy-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]sulfamoyl]benzoate Openeye Name: 3-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]sulfamoyl]benzoate IUPAC Name: 3-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]-4-methoxy-benzoate Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O5S/c1-27-18-8-7-16(20(23)24)13-19(18)28(25,26)21-17-9-11-22(12-10-17)14-15-5-3-2-4-6-15/h2-8,13,17,21H,9-12,14H2,1H3,(H,23,24)