2-(benzamidomethyl)-3-(4-methoxyphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-(benzamidomethyl)-3-(4-methoxyphenyl)sulfonyl-propanoic acid Openeye Name: 2-(benzamidomethyl)-3-(4-methoxyphenyl)sulfonyl-propanoic acid CAS Name: 2-(benzamidomethyl)-3-(4-methoxyphenyl)sulfonylpropanoic acid IUPAC Name: 2-(benzamidomethyl)-3-(4-methoxyphenyl)sulfonylpropanoic acid Traditional Name: 2-(benzamidomethyl)-3-(4-methoxyphenyl)sulfonyl-propionic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CC(CNC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CC(CNC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H19NO6S/c1-25-15-7-9-16(10-8-15)26(23,24)12-14(18(21)22)11-19-17(20)13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3,(H,19,20)(H,21,22)