(3-chloranyl-1-benzothiophen-2-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-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)S(=O)(=O)N2CCOCC2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

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