N-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl]-N-ethyl-2,4-dinitro-benzenesulfonamide

Systemtic Name: N-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl]-N-ethyl-2,4-dinitro-benzenesulfonamide Openeye Name: N-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl]-N-ethyl-2,4-dinitro-benzenesulfonamide CAS Name: N-[3-[(6-chloro-2-naphthalenyl)sulfonyl]propyl]-N-ethyl-2,4-dinitrobenzenesulfonamide IUPAC Name: N-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl]-N-ethyl-2,4-dinitrobenzenesulfonamide Traditional Name: N-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl]-N-ethyl-2,4-dinitro-benzenesulfonamide Formula: C21H20ClN3O8S2 MolecularWeight: 541.9818

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Descriptors Computed from Structure

Canonical SMILES:

CCN(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

CCN(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/C21H20ClN3O8S2/c1-2-23(35(32,33)21-9-7-18(24(26)27)14-20(21)25(28)29)10-3-11-34(30,31)19-8-5-15-12-17(22)6-4-16(15)13-19/h4-9,12-14H,2-3,10-11H2,1H3