[4-[(1-ethanimidoylpiperidin-4-yl)oxy-phenyl-methyl]-3-ethyl-2-sulfamoyl-phenyl]phosphonic acid

Systemtic Name: [4-[(1-ethanimidoylpiperidin-4-yl)oxy-phenyl-methyl]-3-ethyl-2-sulfamoyl-phenyl]phosphonic acid Openeye Name: [4-[(1-ethanimidoyl-4-piperidyl)oxy-phenyl-methyl]-3-ethyl-2-sulfamoyl-phenyl]phosphonic acid CAS Name: [3-ethyl-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy-phenylmethyl]-2-sulfamoylphenyl]phosphonic acid IUPAC Name: [4-[(1-ethanimidoylpiperidin-4-yl)oxy-phenylmethyl]-3-ethyl-2-sulfamoylphenyl]phosphonic acid Traditional Name: [4-[(1-acetimidoyl-4-piperidyl)oxy-phenyl-methyl]-3-ethyl-2-sulfamoyl-phenyl]phosphonic acid Formula: C22H30N3O6PS MolecularWeight: 495.528861

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)N)P(=O)(O)O)C(C2=CC=CC=C2)OC3CCN(CC3)C(=N)C

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)N)P(=O)(O)O)C(C2=CC=CC=C2)OC3CCN(CC3)C(=N)C

InChI

InChI=1S/C22H30N3O6PS/c1-3-18-19(9-10-20(32(26,27)28)22(18)33(24,29)30)21(16-7-5-4-6-8-16)31-17-11-13-25(14-12-17)15(2)23/h4-10,17,21,23H,3,11-14H2,1-2H3,(H2,24,29,30)(H2,26,27,28)