1-(4-chlorophenyl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide Openeye Name: 1-(4-chlorophenyl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide CAS Name: 1-(4-chlorophenyl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-piperidinecarboxamide IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide Traditional Name: 1-(4-chlorophenyl)sulfonyl-N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)isonipecotamide Formula: C22H19ClN4O5S2 MolecularWeight: 518.99306

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O5S2/c1-2-11-26-19-14-17(27(29)30)5-8-20(19)33-22(26)24-21(28)15-9-12-25(13-10-15)34(31,32)18-6-3-16(23)4-7-18/h1,3-8,14-15H,9-13H2