2-ethylhexyl 3-azanyl-4-methylsulfonyl-benzoate

Systemtic Name: 2-ethylhexyl 3-azanyl-4-methylsulfonyl-benzoate Openeye Name: 2-ethylhexyl 3-amino-4-methylsulfonyl-benzoate CAS Name: 3-amino-4-methylsulfonylbenzoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-amino-4-methylsulfonylbenzoate Traditional Name: 3-amino-4-mesyl-benzoic acid 2-ethylhexyl ester Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)N

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)N

InChI

InChI=1S/C16H25NO4S/c1-4-6-7-12(5-2)11-21-16(18)13-8-9-15(14(17)10-13)22(3,19)20/h8-10,12H,4-7,11,17H2,1-3H3