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

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide Openeye Name: 1-(4-fluorophenyl)sulfonyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide CAS Name: 1-(4-fluorophenyl)sulfonyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)isonipecotamide Formula: C22H21FN4O5S3 MolecularWeight: 536.619343

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O5S3/c1-2-11-27-19-8-7-18(34(24,29)30)14-20(19)33-22(27)25-21(28)15-9-12-26(13-10-15)35(31,32)17-5-3-16(23)4-6-17/h1,3-8,14-15H,9-13H2,(H2,24,29,30)