2-[3-[6-(methylsulfonylamino)naphthalen-2-yl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[6-(methylsulfonylamino)naphthalen-2-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[6-(methanesulfonamido)-2-naphthyl]propanoylamino]benzoic acid CAS Name: 2-[[3-[6-(methanesulfonamido)-2-naphthalenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[6-(methanesulfonamido)naphthalen-2-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[6-(methanesulfonamido)-2-naphthyl]propanoylamino]benzoic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

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