4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,5-dimethylpiperidino)sulfonyl-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H27N3O5S3 MolecularWeight: 545.69398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC#C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC#C)C

InChI

InChI=1S/C25H27N3O5S3/c1-5-12-28-22-11-10-21(35(4,30)31)14-23(22)34-25(28)26-24(29)19-6-8-20(9-7-19)36(32,33)27-15-17(2)13-18(3)16-27/h1,6-11,14,17-18H,12-13,15-16H2,2-4H3