(3-chloranyl-1-benzothiophen-2-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C22H22ClNO5S2 MolecularWeight: 479.99678

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClNO5S2/c23-22-18-3-1-2-4-19(18)30-20(22)15-29-21(25)10-7-16-5-8-17(9-6-16)31(26,27)24-11-13-28-14-12-24/h1-6,8-9H,7,10-15H2