1,3-benzothiazol-2-ylmethyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate CAS Name: 4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-(2,6-dimethylmorpholino)sulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O5S2/c1-14-11-23(12-15(2)28-14)30(25,26)17-9-7-16(8-10-17)21(24)27-13-20-22-18-5-3-4-6-19(18)29-20/h3-10,14-15H,11-13H2,1-2H3