methyl 3-(azepan-1-ylsulfonyl)-5-chloranyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-(azepan-1-ylsulfonyl)-5-chloranyl-thiophene-2-carboxylate Openeye Name: methyl 3-(azepan-1-ylsulfonyl)-5-chloro-thiophene-2-carboxylate CAS Name: 3-(1-azepanylsulfonyl)-5-chloro-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(azepan-1-ylsulfonyl)-5-chlorothiophene-2-carboxylate Traditional Name: 3-(azepan-1-ylsulfonyl)-5-chloro-thiophene-2-carboxylic acid methyl ester Formula: C12H16ClNO4S2 MolecularWeight: 337.84274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)C1=C(C=C(S1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C12H16ClNO4S2/c1-18-12(15)11-9(8-10(13)19-11)20(16,17)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3