methyl 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]benzoate Openeye Name: methyl 4-[3-(2-naphthylsulfonylamino)propanoylamino]benzoate CAS Name: 4-[[3-(2-naphthalenylsulfonylamino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]benzoate Traditional Name: 4-[3-(2-naphthylsulfonylamino)propanoylamino]benzoic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O5S/c1-28-21(25)16-6-9-18(10-7-16)23-20(24)12-13-22-29(26,27)19-11-8-15-4-2-3-5-17(15)14-19/h2-11,14,22H,12-13H2,1H3,(H,23,24)