6-methylsulfonylsulfanylhexyl 4-azanylbenzoate

Systemtic Name: 6-methylsulfonylsulfanylhexyl 4-azanylbenzoate Openeye Name: 6-methylsulfonylsulfanylhexyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid 6-(methylsulfonylthio)hexyl ester IUPAC Name: 6-methylsulfonylsulfanylhexyl 4-aminobenzoate Traditional Name: 4-aminobenzoic acid 6-(mesylthio)hexyl ester Formula: C14H21NO4S2 MolecularWeight: 331.45084

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCCCCCOC(=O)C1=CC=C(C=C1)N

Isomeric SMILES

CS(=O)(=O)SCCCCCCOC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C14H21NO4S2/c1-21(17,18)20-11-5-3-2-4-10-19-14(16)12-6-8-13(15)9-7-12/h6-9H,2-5,10-11,15H2,1H3