2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[[5-(dimethylamino)-1-naphthyl]sulfonyl]amino]acetic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetic acid Traditional Name: 2-[benzyl(naphthionyl)amino]acetic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C21H22N2O4S/c1-22(2)19-12-6-11-18-17(19)10-7-13-20(18)28(26,27)23(15-21(24)25)14-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,24,25)