3-[2-oxidanyl-5-[(phenylmethyl)sulfamoyl]phenyl]propanoic acid; phenylmethanamine

Systemtic Name: 3-[2-oxidanyl-5-[(phenylmethyl)sulfamoyl]phenyl]propanoic acid; phenylmethanamine Openeye Name: 3-[5-(benzylsulfamoyl)-2-hydroxy-phenyl]propanoic acid; phenylmethanamine CAS Name: 3-[2-hydroxy-5-[(phenylmethyl)sulfamoyl]phenyl]propanoic acid; phenylmethanamine IUPAC Name: 3-[5-(benzylsulfamoyl)-2-hydroxyphenyl]propanoic acid; phenylmethanamine Traditional Name: benzylamine; 3-[5-(benzylsulfamoyl)-2-hydroxy-phenyl]propionic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN.C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN.C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)O)CCC(=O)O

InChI

InChI=1S/C16H17NO5S.C7H9N/c18-15-8-7-14(10-13(15)6-9-16(19)20)23(21,22)17-11-12-4-2-1-3-5-12;8-6-7-4-2-1-3-5-7/h1-5,7-8,10,17-18H,6,9,11H2,(H,19,20);1-5H,6,8H2