methyl 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl-(2,4-dinitrophenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl-(2,4-dinitrophenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl-(2,4-dinitrophenyl)sulfonyl-amino]acetate CAS Name: 2-[3-[(6-chloro-2-naphthalenyl)sulfonyl]propyl-(2,4-dinitrophenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl-(2,4-dinitrophenyl)sulfonylamino]acetate Traditional Name: 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl-(2,4-dinitrophenyl)sulfonyl-amino]acetic acid methyl ester Formula: C22H20ClN3O10S2 MolecularWeight: 585.9913

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CCCS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl)S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN(CCCS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl)S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN3O10S2/c1-36-22(27)14-24(38(34,35)21-8-6-18(25(28)29)13-20(21)26(30)31)9-2-10-37(32,33)19-7-4-15-11-17(23)5-3-16(15)12-19/h3-8,11-13H,2,9-10,14H2,1H3