N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)nipecotamide Formula: C20H18N4O5S3 MolecularWeight: 490.57572

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H18N4O5S3/c1-2-9-23-16-12-15(24(26)27)7-8-17(16)31-20(23)21-19(25)14-5-3-10-22(13-14)32(28,29)18-6-4-11-30-18/h1,4,6-8,11-12,14H,3,5,9-10,13H2