4-methoxy-3-[phenethyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: 4-methoxy-3-[phenethyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: 3-[benzyl(phenethyl)sulfamoyl]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[phenethyl-(phenylmethyl)sulfamoyl]benzoate IUPAC Name: 3-[benzyl(phenethyl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[benzyl(phenethyl)sulfamoyl]-4-methoxy-benzoate Formula: C23H22NO5S- MolecularWeight: 424.48948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H23NO5S/c1-29-21-13-12-20(23(25)26)16-22(21)30(27,28)24(17-19-10-6-3-7-11-19)15-14-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3,(H,25,26)/p-1