1,3-benzothiazol-2-ylmethyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2O5S2/c1-14-6-7-15(29(24,25)22-8-10-26-11-9-22)12-16(14)20(23)27-13-19-21-17-4-2-3-5-18(17)28-19/h2-7,12H,8-11,13H2,1H3