(3-chloranyl-1-benzothiophen-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H20ClNO6S2 MolecularWeight: 481.9696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H20ClNO6S2/c1-27-16-7-6-14(12-19(16)31(25,26)23-8-10-28-11-9-23)21(24)29-13-18-20(22)15-4-2-3-5-17(15)30-18/h2-7,12H,8-11,13H2,1H3