naphthalen-1-ylmethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: naphthalen-1-ylmethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: 1-naphthylmethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid 1-naphthylmethyl ester Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6S2/c1-29-19-10-9-16(11-18(19)22(24)25)30(26,27)21-12-20(23)28-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,21H,12-13H2,1H3