1,3-benzothiazol-2-ylmethyl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H21ClN2O5S2 MolecularWeight: 480.98484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S2/c1-13-10-24(11-14(2)29-13)31(26,27)19-9-15(7-8-16(19)22)21(25)28-12-20-23-17-5-3-4-6-18(17)30-20/h3-9,13-14H,10-12H2,1-2H3