methyl 3-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-chloro-3-morpholinosulfonyl-benzoyl)amino]thiophene-2-carboxylate CAS Name: 3-[[[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-chloro-3-morpholinosulfonyl-benzoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C17H17ClN2O6S2 MolecularWeight: 444.90968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H17ClN2O6S2/c1-25-17(22)15-13(4-9-27-15)19-16(21)11-2-3-12(18)14(10-11)28(23,24)20-5-7-26-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,19,21)