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

Systemtic Name: (phenylmethyl) 2-[(naphthalen-2-ylsulfonylamino)methyl]-3-oxidanylidene-3-[(phenylmethyl)amino]propanoate Openeye Name: benzyl 3-(benzylamino)-2-[(2-naphthylsulfonylamino)methyl]-3-oxo-propanoate CAS Name: 2-[(2-naphthalenylsulfonylamino)methyl]-3-oxo-3-[(phenylmethyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(benzylamino)-2-[(naphthalen-2-ylsulfonylamino)methyl]-3-oxopropanoate Traditional Name: 3-(benzylamino)-3-keto-2-[(2-naphthylsulfonylamino)methyl]propionic acid benzyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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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)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5S/c31-27(29-18-21-9-3-1-4-10-21)26(28(32)35-20-22-11-5-2-6-12-22)19-30-36(33,34)25-16-15-23-13-7-8-14-24(23)17-25/h1-17,26,30H,18-20H2,(H,29,31)