2-[(naphthalen-2-ylsulfonylamino)methyl]-3-oxidanylidene-3-[(phenylmethyl)amino]propanoic acid

Systemtic Name: 2-[(naphthalen-2-ylsulfonylamino)methyl]-3-oxidanylidene-3-[(phenylmethyl)amino]propanoic acid Openeye Name: 3-(benzylamino)-2-[(2-naphthylsulfonylamino)methyl]-3-oxo-propanoic acid CAS Name: 2-[(2-naphthalenylsulfonylamino)methyl]-3-oxo-3-[(phenylmethyl)amino]propanoic acid IUPAC Name: 3-(benzylamino)-2-[(naphthalen-2-ylsulfonylamino)methyl]-3-oxopropanoic acid Traditional Name: 3-(benzylamino)-3-keto-2-[(2-naphthylsulfonylamino)methyl]propionic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C21H20N2O5S/c24-20(22-13-15-6-2-1-3-7-15)19(21(25)26)14-23-29(27,28)18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19,23H,13-14H2,(H,22,24)(H,25,26)