N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pipecolinamide Formula: C22H23N3O5S3 MolecularWeight: 505.63012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CC#C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CC#C)OC

InChI

InChI=1S/C22H23N3O5S3/c1-4-10-24-16-13-17(29-2)18(30-3)14-19(16)32-22(24)23-21(26)15-8-5-6-11-25(15)33(27,28)20-9-7-12-31-20/h1,7,9,12-15H,5-6,8,10-11H2,2-3H3