methyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propanoate CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-(naphthionylamino)propionic acid methyl ester Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CSCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CSCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H26N2O4S2/c1-25(2)21-13-7-12-19-18(21)11-8-14-22(19)31(27,28)24-20(23(26)29-3)16-30-15-17-9-5-4-6-10-17/h4-14,20,24H,15-16H2,1-3H3