methyl 2-azanyl-3-(4-methoxyphenyl)sulfonyl-thiane-4-carboxylate

Systemtic Name: methyl 2-azanyl-3-(4-methoxyphenyl)sulfonyl-thiane-4-carboxylate Openeye Name: methyl 2-amino-3-(4-methoxyphenyl)sulfonyl-tetrahydrothiopyran-4-carboxylate CAS Name: 2-amino-3-(4-methoxyphenyl)sulfonyl-4-thianecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-3-(4-methoxyphenyl)sulfonylthiane-4-carboxylate Traditional Name: 2-amino-3-(4-methoxyphenyl)sulfonyl-tetrahydrothiopyran-4-carboxylic acid methyl ester Formula: C14H19NO5S2 MolecularWeight: 345.43436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2C(CCSC2N)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2C(CCSC2N)C(=O)OC

InChI

InChI=1S/C14H19NO5S2/c1-19-9-3-5-10(6-4-9)22(17,18)12-11(14(16)20-2)7-8-21-13(12)15/h3-6,11-13H,7-8,15H2,1-2H3