N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(2,6-dimethylmorpholino)sulfonyl-benzamide Formula: C23H22BrN3O4S2 MolecularWeight: 548.47248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC#C

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC#C

InChI

InChI=1S/C23H22BrN3O4S2/c1-4-11-27-20-10-7-18(24)12-21(20)32-23(27)25-22(28)17-5-8-19(9-6-17)33(29,30)26-13-15(2)31-16(3)14-26/h1,5-10,12,15-16H,11,13-14H2,2-3H3