methyl 3-azanyl-4-thiomorpholin-4-ylsulfonyl-benzoate

Systemtic Name: methyl 3-azanyl-4-thiomorpholin-4-ylsulfonyl-benzoate Openeye Name: methyl 3-amino-4-thiomorpholinosulfonyl-benzoate CAS Name: 3-amino-4-thiomorpholin-4-ylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-amino-4-thiomorpholin-4-ylsulfonylbenzoate Traditional Name: 3-amino-4-thiomorpholinosulfonyl-benzoic acid methyl ester Formula: C12H16N2O4S2 MolecularWeight: 316.39644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCSCC2)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCSCC2)N

InChI

InChI=1S/C12H16N2O4S2/c1-18-12(15)9-2-3-11(10(13)8-9)20(16,17)14-4-6-19-7-5-14/h2-3,8H,4-7,13H2,1H3