[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate CAS Name: 3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 3-(2,6-dimethylmorpholino)sulfonylbenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O6S2/c1-14-11-25(12-15(2)31-14)33(28,29)17-7-5-6-16(10-17)21(27)30-13-20(26)24-22-23-18-8-3-4-9-19(18)32-22/h3-10,14-15H,11-13H2,1-2H3,(H,23,24,26)