methyl 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methyl-amino]benzoate Openeye Name: methyl 4-[[5-(dimethylamino)-1-naphthyl]sulfonyl-methyl-amino]benzoate CAS Name: 4-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]benzoate Traditional Name: 4-[methyl(naphthionyl)amino]benzoic acid methyl ester 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(C)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-22(2)19-9-5-8-18-17(19)7-6-10-20(18)28(25,26)23(3)16-13-11-15(12-14-16)21(24)27-4/h5-14H,1-4H3