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

Systemtic Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[(2-ethyl-1-piperidyl)sulfonyl]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[(2-ethyl-1-piperidinyl)sulfonyl]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(2-ethylpiperidino)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:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC#C

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC#C

InChI

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