5-chloranyl-2-methoxy-4-nitro-benzenesulfonamide; hexanoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-nitro-benzenesulfonamide; hexanoic acid Openeye Name: 5-chloro-2-methoxy-4-nitro-benzenesulfonamide; hexanoic acid CAS Name: 5-chloro-2-methoxy-4-nitrobenzenesulfonamide; hexanoic acid IUPAC Name: 5-chloro-2-methoxy-4-nitrobenzenesulfonamide; hexanoic acid Traditional Name: 5-chloro-2-methoxy-4-nitro-benzenesulfonamide; hexanoic acid Formula: C13H19ClN2O7S MolecularWeight: 382.81716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)O.COC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)S(=O)(=O)N

Isomeric SMILES

CCCCCC(=O)O.COC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)S(=O)(=O)N

InChI

InChI=1S/C7H7ClN2O5S.C6H12O2/c1-15-6-3-5(10(11)12)4(8)2-7(6)16(9,13)14;1-2-3-4-5-6(7)8/h2-3H,1H3,(H2,9,13,14);2-5H2,1H3,(H,7,8)