2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]acetic acid CAS Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-methylamino]acetic acid IUPAC Name: 2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methylamino]acetic acid Traditional Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]acetic acid Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C(CC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CN(CC(=O)O)C(=O)C(CC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H21N3O5S/c1-26(15-22(27)28)23(29)21(12-16-6-8-17(14-24)9-7-16)25-32(30,31)20-11-10-18-4-2-3-5-19(18)13-20/h2-11,13,21,25H,12,15H2,1H3,(H,27,28)