1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide Openeye Name: 1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide CAS Name: 1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)isonipecotamide Formula: C23H22FN3O5S3 MolecularWeight: 535.631283

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)S2)CC#C

InChI

InChI=1S/C23H22FN3O5S3/c1-3-12-27-20-9-8-19(34(2,29)30)15-21(20)33-23(27)25-22(28)16-10-13-26(14-11-16)35(31,32)18-6-4-17(24)5-7-18/h1,4-9,15-16H,10-14H2,2H3